间苯二酚单苯甲酸酯

  • 基本信息
  • 制备方法及用途
  • 物化性质
  • 安全信息
  • 毒理性
  • MSDS
  • 结构与计算化学
  • 上游产品
  • 下游产品
  • 表征图谱

间苯二酚单苯甲酸酯 基本信息

中文名称:
间苯二酚单苯甲酸酯 
中文别名:
1,3-苯二酚单苯甲酸酯;
间苯二酚单苯甲酸酯;
3-羟苯基苯甲酸酯;
苯甲酸3-羟基苯酯 
英文名称:
1,3-Benzenediol,1-benzoate
英文别名:
1,3-Benzenediol, 1-benzoate;
1,3-Benzenediol, monobenzoate (9CI);
Resorcinol, benzoate (6CI,7CI);
Resorcinol, monobenzoate (8CI);
1,3-Benzenediol benzoate;
3-Benzoyloxyphenol;
3-Hydroxyphenyl benzoate;
Eastman Inhibitor RMB;
Eastman RMB;
NSC 4807;
RMB;
Seesorb 300;
m-Hydroxyphenyl benzoate 
CAS No.:
136-36-7
分 子 式:
C13H10O3
分 子 量:
214.23
精确分子量:
214.06300
PSA:
46.53000
MDL:
MFCD00020118
EINECS:
205-241-7
InChI:
The Key: GDESWOTWNNGOMW-UHFFFAOYSA-N
危险品标志:
Xn
风险术语:
R22R36/37/38
安全术语:
S26S36
分子结构式:
SDS:
查看

间苯二酚单苯甲酸酯 制备方法及用途

制备方法

将间苯二酚和碱液按配比量投入反应釜,搅拌溶解。控制温度18~20℃下,一边搅拌,一边缓缓加入苯甲酰氯。在滴加苯甲酰氯过程中,保持18~20℃不变。滴加完后,仍然保持温度继续搅拌反应,待pH值不变时即可出料。经过滤、热水洗至中性、干燥,即得粗品。然后以五倍于粗品(质量)的甲苯在回流温度下将其溶解,用活性炭脱色、过滤、冷却、结晶、过滤、干燥,即得成品。

合成制备方法

将间苯二酚和碱液按配比量投入反应釜,搅拌溶解。控制温度1820℃下,一边搅拌,一边缓缓加入苯甲酰氯。在滴加苯甲酰氯过程中,保持1820℃不变。滴加完后,仍然保持温度继续搅拌反应,待pH值不变时即可出料。经过滤、热水洗至中性、干燥,即得粗品。然后以五倍于粗品(质量)的甲苯在回流温度下将其溶解,用活性炭脱色、过滤、冷却、结晶、过滤、干燥,即得成品。

用途简介

本品用作纤维素塑料和聚氯乙烯的光稳定剂和抗氧剂。适合于透明制品,用量一般为树脂的 0%~ 0%(质量)。

用途

本品用作纤维素塑料和聚氯乙烯的光稳定剂和抗氧剂。适合于透明制品,用量一般为树脂的1.0%2.0%(质量)

间苯二酚单苯甲酸酯 物化性质

密度:
1.25g/cm3
熔点:
133-135 °C(lit.)
沸点:
379.5ºC at 760mmHg
闪点:
166.2ºC
折射率:
1.615
蒸汽压:
2.67E-06mmHg at 25°C
存储条件/存储方法:

采用纸桶内衬塑料袋包装。按一般化学品规定储运。

稳定性相关:

在邻苯二甲酸二辛酯(增塑剂DOP)中溶解度很小,但随着温度的升高,溶解度急剧上升(100时可达43g/100g DOP)。低毒。

其它信息:

1.       性状:未确定

2.       密度(g/mL,25/4):未确定

3.       相对蒸汽密度(g/mL,空气=1):未确定

4.       熔点(ºC):130135

5.       沸点(ºC,常压):未确定

6.       沸点(ºC, 20Pa):140

7.       折射率:未确定

8.       闪点(ºC):未确定

9.       比旋光度(º):未确定

10.    自燃点或引燃温度(ºC):未确定

11.    蒸气压(kPa,25ºC):未确定

12.    饱和蒸气压(kPa,60ºC):未确定

13.    燃烧热(KJ/mol):未确定

14.    临界温度(ºC):未确定

15.    临界压力(KPa):未确定

16.    油水(辛醇/水)分配系数的对数值:未确定

17.    爆炸上限(%,V/V):未确定

18.    爆炸下限(%,V/V):未确定

19.    溶解性:常温下易溶于丙酮和乙醇,微溶于苯、水

20.    堆密度(kg/m3,20680

间苯二酚单苯甲酸酯 安全信息

WGK_Germany:
3
德国有关水污染物质的分类清单
危险类别码:
22-36/37/38
安全说明:
S26-S36
RTECS号:
VH2800000
安全标志:
S26:万一接触眼睛,立即使用大量清水冲洗并送医诊治。
S36:穿戴合适的防护服装。
危险标志:
Xn: Harmful;

间苯二酚单苯甲酸酯 毒理性

CHEMICAL IDENTIFICATION

RTECS NUMBER :
VH2800000
CHEMICAL NAME :
Resorcinol, monobenzoate
CAS REGISTRY NUMBER :
136-36-7
BEILSTEIN REFERENCE NO. :
1873897
LAST UPDATED :
199701
DATA ITEMS CITED :
10
MOLECULAR FORMULA :
C13-H10-O3
MOLECULAR WEIGHT :
214.23
WISWESSER LINE NOTATION :
QR COVR

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration into the eye
SPECIES OBSERVED :
Rodent - rabbit
REFERENCE :
JAPMA8 Journal of the American Pharmaceutical Association, Scientific Edition. (Washington, DC) V.29-49, 1940-60. For publisher information, see JPMSAE. Volume(issue)/page/year: 46,185,1957
TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - guinea pig
REFERENCE :
KODAK* Kodak Company Reports. (343 State St., Rochester, NY 14650) Volume(issue)/page/year: #906511 ** ACUTE TOXICITY DATA **
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
800 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
KODAK* Kodak Company Reports. (343 State St., Rochester, NY 14650) Volume(issue)/page/year: 21MAY1971
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
400 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
14CYAT "Industrial Hygiene and Toxicology," 2nd ed., Patty, F.A., ed., New York, John Wiley & Sons, Inc., 1958-63 Volume(issue)/page/year: 2,1897,1963
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
800 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
KODAK* Kodak Company Reports. (343 State St., Rochester, NY 14650) Volume(issue)/page/year: #906511
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
710 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Behavioral - tremor Behavioral - ataxia
REFERENCE :
JAPMA8 Journal of the American Pharmaceutical Association, Scientific Edition. (Washington, DC) V.29-49, 1940-60. For publisher information, see JPMSAE. Volume(issue)/page/year: 46,185,1957
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - guinea pig
DOSE/DURATION :
>20 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
14CYAT "Industrial Hygiene and Toxicology," 2nd ed., Patty, F.A., ed., New York, John Wiley & Sons, Inc., 1958-63 Volume(issue)/page/year: 2,1897,1963 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - M1716 No. of Facilities: 26 (estimated) No. of Industries: 2 No. of Occupations: 9 No. of Employees: 3481 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - M1716 No. of Facilities: 13 (estimated) No. of Industries: 2 No. of Occupations: 3 No. of Employees: 302 (estimated) No. of Female Employees: 78 (estimated)
毒理学数据:

皮肤/眼睛刺激数据

兔子眼睛接触:5%轻度反应

豚鼠皮肤接触:500mg中度反应

急性毒性数据:

大鼠经口LD50800mg/kg

大鼠腹腔LD50400mg/kg

小鼠经口LD50:800mg/kg

小鼠腹腔LD50:710mg/kg

豚鼠皮肤接触LD50>20mg/kg

间苯二酚单苯甲酸酯 MSDS


Section 1. IDENTIFICATION OF THE SUBSTANCE/MIXTURE
  Product identifiers
    Product name        : Resorcinol monobenzoate    
    CAS-No.        : 136-36-7    
  Relevant identified uses of the substance or mixture and uses advised against
    Identified uses        : Laboratory chemicals, Manufacture of substances    
  
  

Section 2. HAZARDS IDENTIFICATION
  Classification of the substance or mixture
  Classification according to Regulation (EC) No 1272/2008 [EU-GHS/CLP]
    Acute toxicity, Oral (Category 4)
    Skin irritation (Category 2)
    Eye irritation (Category 2)
    Specific target organ toxicity - single exposure (Category 3)
  Classification according to EU Directives 67/548/EEC or 1999/45/EC
    Harmful if swallowed. Irritating to eyes, respiratory system and skin.
  Label elements
  Labelling according Regulation (EC) No 1272/2008 [CLP]
    Pictogram
    Signal word        Warning    
    Hazard statement(s)
    H302        Harmful if swallowed.    
    H315        Causes skin irritation.    
    H319        Causes serious eye irritation.    
    H335        May cause respiratory irritation.    
    Precautionary statement(s)
    P261        Avoid breathing dust/ fume/ gas/ mist/ vapours/ spray.    
    P305 + P351 + P338        IF IN EYES: Rinse cautiously with water for several minutes. Remove    
    contact lenses, if present and easy to do. Continue rinsing.
    Supplemental Hazard        none    
    Statements
  According to European Directive 67/548/EEC as amended.
    Hazard symbol(s)
    R-phrase(s)
    R22        Harmful if swallowed.    
    R36/37/38        Irritating to eyes, respiratory system and skin.    
    S-phrase(s)
    S26        In case of contact with eyes, rinse immediately with plenty of water and    
    seek medical advice.
    S36        Wear suitable protective clothing.    
  Other hazards - none

Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
  Substances
    Formula        : C13H10O3    
    Molecular Weight        : 214,22 g/mol    
    Component        Concentration    
  3-Dydroxyphenyl benzoate
    CAS-No.        136-36-7        -    
    EC-No.        205-241-7    

Section 4. FIRST AID MEASURES
  Description of first aid measures
  General advice
    Consult a physician. Show this safety data sheet to the doctor in attendance.
  If inhaled
    If breathed in, move person into fresh air. If not breathing, give artificial respiration. Consult a physician.
  In case of skin contact
    Wash off with soap and plenty of water. Consult a physician.
  In case of eye contact
    Rinse thoroughly with plenty of water for at least 15 minutes and consult a physician.
  If swallowed
    Never give anything by mouth to an unconscious person. Rinse mouth with water. Consult a physician.
  Most important symptoms and effects, both acute and delayed
    To the best of our knowledge, the chemical, physical, and toxicological properties have not been
    thoroughly investigated.
  Indication of any immediate medical attention and special treatment needed
    no data available

Section 5. FIREFIGHTING MEASURES
  Extinguishing media
  Suitable extinguishing media
    Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide.
  Special hazards arising from the substance or mixture
    Carbon oxides
  Advice for firefighters
    Wear self contained breathing apparatus for fire fighting if necessary.
  Further information
    no data available

Section 6. ACCIDENTAL RELEASE MEASURES
  Personal precautions, protective equipment and emergency procedures
    Use personal protective equipment. Avoid dust formation. Avoid breathing vapors, mist or gas. Ensure
    adequate ventilation. Evacuate personnel to safe areas. Avoid breathing dust.
  Environmental precautions
    Do not let product enter drains.
  Methods and materials for containment and cleaning up
    Pick up and arrange disposal without creating dust. Sweep up and shovel. Keep in suitable, closed
    containers for disposal.
  Reference to other sections
    For disposal see section 13.

Section 7. HANDLING AND STORAGE
  Precautions for safe handling
    Avoid contact with skin and eyes. Avoid formation of dust and aerosols.
    Provide appropriate exhaust ventilation at places where dust is formed.Normal measures for preventive fire
    protection.
  Conditions for safe storage, including any incompatibilities
    Store in cool place. Keep container tightly closed in a dry and well-ventilated place.
  Specific end use(s)
    no data available

Section 8. EXPOSURE CONTROLS/PERSONAL PROTECTION
  Control parameters
  Components with workplace control parameters
  Exposure controls
  Appropriate engineering controls
    Handle in accordance with good industrial hygiene and safety practice. Wash hands before breaks and
    at the end of workday.
  Personal protective equipment
  Eye/face protection
    Safety glasses with side-shields conforming to EN166 Use equipment for eye protection tested
    and approved under appropriate government standards such as NIOSH (US) or EN 166(EU).
  Skin protection
    Handle with gloves. Gloves must be inspected prior to use. Use proper glove removal technique
    (without touching glove's outer surface) to avoid skin contact with this product. Dispose of
    contaminated gloves after use in accordance with applicable laws and good laboratory practices.
    Wash and dry hands.
    The selected protective gloves have to satisfy the specifications of EU Directive 89/686/EEC and
    the standard EN 374 derived from it.
  Body Protection
    Complete suit protecting against chemicals, The type of protective equipment must be selected
    according to the concentration and amount of the dangerous substance at the specific workplace.
  Respiratory protection
    For nuisance exposures use type P95 (US) or type P1 (EU EN 143) particle respirator.For higher
    level protection use type OV/AG/P99 (US) or type ABEK-P2 (EU EN 143) respirator cartridges.
    Use respirators and components tested and approved under appropriate government standards
    such as NIOSH (US) or CEN (EU).

Section 9. PHYSICAL AND CHEMICAL PROPERTIES
  Information on basic physical and chemical properties
    a) Appearance        Form: powder    
    Colour: tan
    b) Odour        no data available    
    c) Odour Threshold        no data available    
    d) pH        no data available    
    e) Melting point/freezing        Melting point/range: 133 - 135 °C - lit.    
    point
    f) Initial boiling point and no data available
    boiling range
    g) Flash point        no data available    
    h) Evaporation rate        no data available    
    i) Flammability (solid, gas) no data available
    j) Upper/lower        no data available    
    flammability or
    explosive limits
    k) Vapour pressure        no data available    
    l) Vapour density        no data available    
    m) Relative density        no data available    
    n) Water solubility        no data available    
    o) Partition coefficient: n- no data available
    octanol/water
    p) Auto-ignition        no data available    
    temperature
    q) Decomposition        no data available    
    temperature
    r) Viscosity        no data available    
    s) Explosive properties        no data available    
    t) Oxidizing properties        no data available    
  Other safety information
    no data available

Section 10. STABILITY AND REACTIVITY
  Reactivity
    no data available
  Chemical stability
    no data available
  Possibility of hazardous reactions
    no data available
  Conditions to avoid
    no data available
  Incompatible materials
    Strong oxidizing agents
  Hazardous decomposition products
    Other decomposition products - no data available

Section 11. TOXICOLOGICAL INFORMATION
  Information on toxicological effects
  Acute toxicity
    LD50 Oral - rat - 800 mg/kg
    Inhalation: no data available
  Skin corrosion/irritation
  Serious eye damage/eye irritation
    Eyes - rabbit -
  Respiratory or skin sensitization
    no data available
  Germ cell mutagenicity
    no data available
  Carcinogenicity
    IARC:        No component of this product present at levels greater than or equal to 0.1% is identified as    
    probable, possible or confirmed human carcinogen by IARC.
  Reproductive toxicity
    no data available
  Specific target organ toxicity - single exposure
    Inhalation - May cause respiratory irritation.
  Specific target organ toxicity - repeated exposure
    no data available
  Aspiration hazard
    no data available
  Potential health effects
  Inhalation        May be harmful if inhaled. Causes respiratory tract irritation.    
  Ingestion        Harmful if swallowed.    
  Skin        May be harmful if absorbed through skin. Causes skin irritation.    
  Eyes        Causes serious eye irritation.    
  Signs and Symptoms of Exposure
    To the best of our knowledge, the chemical, physical, and toxicological properties have not been
    thoroughly investigated.
  Additional Information
    RTECS: VH2800000

Section 12. ECOLOGICAL INFORMATION
  Toxicity
    no data available
  Persistence and degradability
    no data available
  Bioaccumulative potential
    no data available
  Mobility in soil
    no data available
  Results of PBT and vPvB assessment
    no data available
  Other adverse effects
    no data available

Section 13. DISPOSAL CONSIDERATIONS
  Waste treatment methods
  Product
    Offer surplus and non-recyclable solutions to a licensed disposal company. Contact a licensed
    professional waste disposal service to dispose of this material. Dissolve or mix the material with a
    combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber.
  Contaminated packaging
    Dispose of as unused product.

Section 14. TRANSPORT INFORMATION
  UN number
    ADR/RID: -        IMDG: -        IATA: -    
  UN proper shipping name
    ADR/RID: Not dangerous goods
    IMDG: Not dangerous goods
    IATA:        Not dangerous goods    
  Transport hazard class(es)
    ADR/RID: -        IMDG: -        IATA: -    
  Packaging group
    ADR/RID: -        IMDG: -        IATA: -    
  Environmental hazards
    ADR/RID: no        IMDG Marine Pollutant: no        IATA: no    
  Special precautions for user
    no data available

Section 15. REGULATORY INFORMATION
    This safety datasheet complies with the requirements of Regulation (EC) No. 1907/2006.
  Safety, health and environmental regulations/legislation specific for the substance or mixture
    no data available
  Chemical Safety Assessment
    no data available

Section 16. OTHER INFORMATION
  Further information
    Copyright 2012 Co. LLC. License granted to make unlimited paper copies for internal use
    only.
    The above information is believed to be correct but does not purport to be all inclusive and shall be
    used only as a guide. The information in this document is based on the present state of our knowledge
    and is applicable to the product with regard to appropriate safety precautions. It does not represent any
    guarantee of the properties of the product. Corporation and its Affiliates shall not be held
    liable for any damage resulting from handling or from contact with the above product. See
     and/or the reverse side of invoice or packing slip for additional terms and conditions of sale.

间苯二酚单苯甲酸酯 分子结构与计算化学数据

分子结构数据

 

 

1   摩尔折射率59.77

2   摩尔体积m3/mol):171.2

3   等张比容90.2K):459.6

4   表面张力3.0 dyne/cm):51.8

5   极化率0.5 10-24cm3):23.69

计算化学数据

1.疏水参数计算参考值(XlogP):无

2.氢键供体数量:1

3.氢键受体数量:3

4.可旋转化学键数量:3

5.互变异构体数量:3

6.拓扑分子极性表面积46.5

7.重原子数量:16

8.表面电荷:0

9.复杂度:233

10.同位素原子数量:0

11.确定原子立构中心数量:0

12.不确定原子立构中心数量:0

13.确定化学键立构中心数量:0

14.不确定化学键立构中心数量:0

15.共价键单元数量:1

推荐供应商更多供应商>>

上海吉至生化科技有限公司

产品介绍:
产品名称:苯甲酸3-羟基苯酯 Cas号:136-36-7 纯度:≥95% 包装信息:25gea 价格:108.0元
联系方式:
联系人:江珊 电话:021-57520831 手机:15316869680

宝鸡市国康海思化学技术有限公司

产品介绍:
产品名称:间苯二酚单苯甲酸酯 Cas号:136-36-7 纯度:98 包装信息:1kg 价格:洽谈
联系方式:
联系人:杨经理 电话:0917-3909592 手机:13892490616

湖北恩星生物科技有限公司

产品介绍:
产品名称:1,3-苯二酚单苯甲酸酯 Cas号:136-36-7 纯度: 包装信息:100kg,200kg,300kg,400kg,500kg 价格:64.0元 - 100.0元
联系方式:
联系人:邵经理 电话:16621771607 手机:16621771607

湖北实兴化工有限公司

产品介绍:
产品名称:1,3-苯二酚单苯甲酸酯 Cas号:136-36-7 纯度:99% 包装信息:1kg,25kg,50kg,200kg,500kg 价格:1.0元 - 10.0元
联系方式:
联系人:张妍 电话:13554155445 手机:13554155445

上海瀚思化工有限公司

产品介绍:
产品名称:苯甲酸3-羟基苯酯 Cas号:136-36-7 纯度:97% 包装信息:25g 价格:126.4元
联系方式:
联系人:张 电话:021-64806089 手机:18049821080

范德(北京)生物科技有限责任公司

产品介绍:
产品名称:136-36-7 Cas号:136-36-7 纯度:97% 包装信息:100g 价格:527.0元
联系方式:
联系人:王 电话:15911056312 手机:15911056312

郑州杰克斯化工有限公司

产品介绍:
产品名称:间苯二酚单苯甲酸酯 Cas号:136-36-7 纯度: 包装信息:洽谈 价格:洽谈
联系方式:
联系人:许伟伟 电话:0371-86259281 15981966935 手机:15981966935

阿法埃莎(天津)化学有限公司

产品介绍:
产品名称:间苯二酚单苯甲酸酯 Cas号:136-36-7 纯度: 包装信息:洽谈 价格:洽谈
联系方式:
联系人:张海滨 电话:800-810-6000 手机: