3-甲氧基苯酚

  • 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

3-甲氧基苯酚 基本信息

中文名称:
3-甲氧基苯酚 
中文别名:
3-甲氧基苯酚;
间甲氧基苯酚;
间羟基苯甲醚;
间甲氧基酚;
3-甲氧基酚;
间苯二酚单甲醚;
3-羟基苯甲醚 
英文名称:
Phenol, 3-methoxy-
英文别名:
3-methoxyphenol;
m-Hydroxyanisole;
Resorcinol methyl ether;
Phenol,3-methoxy;
m-Guaiacol;
3-methoxy-phenol;
3-Hydroxyanisole;
Resorcinol monomethyl ether;
methyl resorcinol;
m-Methoxyphenol;
1,3-dihydroxybenzene monomethyl ether;
1-Hydroxy-3-methoxybenzene;
3-Methoxyphenol 
CAS No.:
150-19-6
分 子 式:
C7H8O2
分 子 量:
124.14
精确分子量:
124.05200
PSA:
29.46000
MDL:
MFCD00002267
EINECS:
205-754-6
BRN:
1209898
InChI:
InChI=1/C6H6O2.C2H6O/c7-5-2-1-3-6(8)4-5;1-3-2/h1-4,7-8H;1-2H3
危险品标志:
Xn:Harmful
风险术语:
R20/21/22; R36/37/38; R41<
安全术语:
S26; S36/37/39;
分子结构式:
SDS:
查看

3-甲氧基苯酚 制备方法及用途

制备方法

1. 烟草:OR,26。

合成制备方法

1. 烟草:OR,26。

用途简介

香精中均少使用。是合成香兰素的重要原料。

用途

1. 香精中均少使用。

2. 是合成香兰素的重要原料。

3-甲氧基苯酚 物化性质

外观与性状:
透明粉红色至红色液体带有苯酚的气味
密度:
1.131 g/mL at 25 °C(lit.)
熔点:
-17 °C
沸点:
113-115 °C5 mm Hg(lit.)
闪点:
>230 °F
水溶解性:
slightly soluble
折射率:
n20/D 1.552(lit.)
存储条件/存储方法:

密封于干燥阴凉处保存。

稳定性相关:

1. 常温常压下稳定。

2. 存在于香料烟烟叶、烟气中。

3. 天然存在于芸香油、芹菜子油、烟叶油、橙叶蒸馏液和海狸香中。

其它信息:

一、物性数据:

1.      性状:无色透明到淡黄色晶体,具有类似苯酚的甜香香气。暴露空气易变色。

2.      密度(g/mL,20℃):1.145

3-甲氧基苯酚 安全信息

包装等级:
III
风险类别:
6.1
海关代码:
29095090
WGK_Germany:
3
德国有关水污染物质的分类清单
危险类别码:
R20/21/22;R36/37/38
安全说明:
S26-S36/37/39
RTECS号:
SL7524000
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。
危险标志:
Xn:Harmful;

3-甲氧基苯酚 毒理性

CHEMICAL IDENTIFICATION

RTECS NUMBER :
SL7524000
CHEMICAL NAME :
Phenol, m-methoxy-
CAS REGISTRY NUMBER :
150-19-6
LAST UPDATED :
199701
DATA ITEMS CITED :
15
MOLECULAR FORMULA :
C7-H8-O2
MOLECULAR WEIGHT :
124.15
WISWESSER LINE NOTATION :
QR CO1

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 ** ACUTE TOXICITY DATA **
TYPE OF TEST :
TCLo - Lowest published toxic concentration
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Human
DOSE/DURATION :
230 ug/m3/22W
TOXIC EFFECTS :
Behavioral - muscle weakness Behavioral - headache Behavioral - irritability
REFERENCE :
GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 37(3),108,1972
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
597 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 37(3),108,1972
TYPE OF TEST :
LC50 - Lethal concentration, 50 percent kill
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
11500 mg/m3/4H
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
85GMAT "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982 Volume(issue)/page/year: -,105,1982
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
682 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 37(3),108,1972
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
312 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 37(3),108,1972
TYPE OF TEST :
LC50 - Lethal concentration, 50 percent kill
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
11500 mg/m3/4H
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
85GMAT "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982 Volume(issue)/page/year: -,105,1982
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
320 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 :
Oral
SPECIES OBSERVED :
Mammal - species unspecified
DOSE/DURATION :
597 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 45(10),16,1980
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Mammal - species unspecified
DOSE/DURATION :
682 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 45(10),16,1980 ** OTHER MULTIPLE DOSE TOXICITY DATA **
TYPE OF TEST :
TCLo - Lowest published toxic concentration
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
2120 ug/m3/5H/19W-I
TOXIC EFFECTS :
Brain and Coverings - recordings from specific areas of CNS
REFERENCE :
GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 37(3),108,1972
TYPE OF TEST :
TCLo - Lowest published toxic concentration
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Rodent - guinea pig
DOSE/DURATION :
6200 ug/m3/5H/19W-I
TOXIC EFFECTS :
Blood - changes in serum composition (e.g. TP, bilirubin, cholesterol) Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - catalases
REFERENCE :
GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 37(3),108,1972 ** REPRODUCTIVE DATA **
TYPE OF TEST :
TCLo - Lowest published toxic concentration
ROUTE OF EXPOSURE :
Inhalation
DOSE :
230 ug/m3
SEX/DURATION :
female 22 week(s) pre-mating
TOXIC EFFECTS :
Reproductive - Maternal Effects - menstrual cycle changes or disorders
REFERENCE :
GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 37(3),108,1972
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
333 mg/kg
SEX/DURATION :
female 11 day(s) after conception
TOXIC EFFECTS :
Reproductive - Effects on Newborn - growth statistics (e.g.%, reduced weight gain)
REFERENCE :
TJADAB Teratology, The International Journal of Abnormal Development. (Alan R. Liss, Inc., 41 E. 11th St., New York, NY 10003) V.1- 1968- Volume(issue)/page/year: 41,43,1990
毒理学数据:

二、毒理学数据:

1、急性毒性:大鼠经口LD50:597 mg/kg;

大鼠经皮LD50:682 mg/kg;

小鼠经口LD50:312 mg/kg;

小鼠腹腔LD50:320 mg/kg。

2、   吸入毒性:大鼠LC50:11500 mg/m3/4H;

              小鼠LC50:11500 mg/m3/4H。

3、   生殖毒性:大鼠经口TDLo:333 mg/kg

 

生态数据:

三、生态学数据:

其它有害作用:该物质对环境可能有危害,对水体应给予特别注意。

3-甲氧基苯酚 MSDS

Name: 3-Methoxyphenol 97% Material Safety Data Sheet
Synonym: m-Hydroxyanisol
CAS: 150-19-6
Section 1 - Chemical Product   MSDS Name:3-Methoxyphenol 97% Material Safety Data Sheet
Synonym:m-Hydroxyanisol

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
150-19-6 3-METHOXYPHENOL 97% 205-754-6
Hazard Symbols: XN
Risk Phrases: 20/21/22 36

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Harmful by inhalation, in contact with skin and if swallowed.
Irritating to eyes.
Potential Health Effects
Eye:
Causes severe eye irritation.
Skin:
May cause skin irritation. Harmful if absorbed through the skin. May cause skin discoloration.
Ingestion:
May cause irritation of the digestive tract. May be harmful if swallowed.
Inhalation:
May cause respiratory tract irritation.
Chronic:
Chronic exposure may cause visual disturbances.

Section 4 - FIRST AID MEASURES
  Eyes: Immediately flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid immediately.
Skin:
Get medical aid. Immediately flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:
If victim is conscious and alert, give 2-4 cupfuls of milk or water.
Never give anything by mouth to an unconscious person. Get medical aid.
Inhalation:
Remove from exposure and move to fresh air immediately. Get medical aid if cough or other symptoms appear.
Notes to Physician:

Section 5 - FIRE FIGHTING MEASURES
  General Information:
As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear.
Extinguishing Media:
Water or foam may cause frothing. Use water spray, dry chemical, carbon dioxide, or chemical foam.

Section 6 - ACCIDENTAL RELEASE MEASURES
  General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Absorb spill with inert material (e.g. vermiculite, sand or earth), then place in suitable container.

Section 7 - HANDLING and STORAGE
  Handling:
Wash thoroughly after handling. Use only in a well-ventilated area.
Do not get in eyes, on skin, or on clothing. Keep container tightly closed. Avoid ingestion and inhalation.
Storage:
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
  Engineering Controls:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 150-19-6: Russia: 0.5 mg/m3 TWA Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced.

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES
 
Physical State: Liquid
Color: clear pink red
Odor: Odor of caramel and phenol
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 243 - 246 deg C @ 760.00mm Hg
Freezing/Melting Point: -17 deg C
Autoignition Temperature: Not available.
Flash Point: > 112 deg C (> 233.60 deg F)
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water: soluble in water
Specific Gravity/Density: 1.1310g/cm3
Molecular Formula: C7H8O2
Molecular Weight: 124.14

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Bases - acid chlorides - acid anhydrides - oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, carbon dioxide.
Hazardous Polymerization: Will not occur.

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 150-19-6: SL7524000 LD50/LC50:
CAS# 150-19-6: Draize test, rabbit, eye: 5% Severe; Draize test, rabbit, eye: 100%; Draize test, rabbit, skin: 100%; Inhalation, mouse: LC50 = 11500 mg/m3/4H; Inhalation, rat: LC50 = 11500 mg/m3/4H; Oral, mouse: LD50 = 312 mg/kg; Oral, mouse: LD50 = 312 mg/kg; Oral, rat: LD50 = 597 mg/kg; Oral, rat: LD50 = 597 mg/kg; Skin, rat: LD50 = 682 mg/kg.
Carcinogenicity:
3-METHOXYPHENOL - Not listed by ACGIH, IARC, or NTP.
Other:
See actual entry in RTECS for complete information.

Section 12 - ECOLOGICAL INFORMATION
 

Section 13 - DISPOSAL CONSIDERATIONS
  Dispose of in a manner consistent with federal, state, and local regulations.

Section 14 - TRANSPORT INFORMATION
 
IATA
Not regulated as a hazardous material.
IMO
Not regulated as a hazardous material.
RID/ADR
Not regulated as a hazardous material.

Section 15 - REGULATORY INFORMATION
 
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XN
Risk Phrases:
R 20/21/22 Harmful by inhalation, in contact with
skin and if swallowed.
R 36 Irritating to eyes.
Safety Phrases:
S 23 Do not inhale gas/fumes/vapour/spray.
S 24/25 Avoid contact with skin and eyes.
WGK (Water Danger/Protection)
CAS# 150-19-6: No information available.
Canada
CAS# 150-19-6 is listed on Canada's NDSL List.
CAS# 150-19-6 is listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 150-19-6 is listed on the TSCA inventory.


SECTION 16 - ADDITIONAL INFORMATION
N/A

3-甲氧基苯酚 分子结构与计算化学数据

分子结构数据

 

五、分子性质数据:

1、  摩尔折射率:34.81

2、  摩尔体积(cm3/mol):111.8

3、  等张比容(90.2K):278.9

4、  表面张力(dyne/cm):38.6

5、  极化率(10-24cm3):13.80

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:2

4.可旋转化学键数量:1

5.互变异构体数量:3

6.拓扑分子极性表面积29.5

7.重原子数量:9

8.表面电荷:0

9.复杂度:83

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

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