11-氨基十一酸; 11-氨基十一烷酸

  • 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

11-氨基十一酸; 11-氨基十一烷酸 基本信息

中文名称:
11-氨基十一酸; 11-氨基十一烷酸 
中文别名:
11-氨基十一酸;
ω-氨基十一烷酸;
11-氨基十一烷酸 
英文名称:
Undecanoic acid,11-amino-
英文别名:
11-Aminoundecanoic acid;
11-AMINOUNDECYLIC ACID;
11-amino-n-undecanoic acid;
NH2-(CH2)10-COOH;
11-Amino-undecansaeure;
11-Aminoundecanoic a;
11-amino-undecanoicaci;
H-11-Aun-OH;
aminoundecanoicacid;
11-Aminoundecansure;
11-amino-undecanoic acid 
CAS No.:
2432-99-7
分 子 式:

C11H23NO2

分 子 量:
201.31
精确分子量:
201.17300
PSA:
63.32000
MDL:
MFCD00008150
EINECS:
219-417-6
BRN:
1767291
InChI:
InChI=1/C11H23NO2/c1-2-3-4-5-6-7-8-9-10(12)11(13)14/h10H,2-9,12H2,1H3,(H,13,14)
危险品标志:

 

风险术语:

 

安全术语:

S24/25

分子结构式:
SDS:
查看

11-氨基十一酸; 11-氨基十一烷酸 制备方法及用途

制备方法

有机合成。

用途简介

用途

有机合成。

11-氨基十一酸; 11-氨基十一烷酸 物化性质

外观与性状:
白色结晶固体或粉末
密度:
0.965 g/cm3
熔点:
188-191 °C(lit.)
沸点:
334.9ºC at 760 mmHg
闪点:
156.3ºC
水溶解性:
2 g/L (20 ºC)
折射率:
1.468
蒸汽压:
8.39E-05mmHg at 25°C
存储条件/存储方法:
库房通风低温干燥
稳定性相关:

避免与不相容材料接触。禁止存放在55ºC的地方。

11-氨基十一酸; 11-氨基十一烷酸 安全信息

海关代码:
29224995
WGK_Germany:
1
德国有关水污染物质的分类清单
安全说明:
S24/25
RTECS号:
YQ2293000
安全标志:
S24/25:防止皮肤和眼睛接触。
危险标志:
Xn:Harmful;

11-氨基十一酸; 11-氨基十一烷酸 毒理性

CHEMICAL IDENTIFICATION

RTECS NUMBER :
YQ2293000
CHEMICAL NAME :
Undecanoic acid, 11-amino-
CAS REGISTRY NUMBER :
2432-99-7
BEILSTEIN REFERENCE NO. :
1767291
LAST UPDATED :
199701
DATA ITEMS CITED :
12
MOLECULAR FORMULA :
C11-H23-N-O2
MOLECULAR WEIGHT :
201.35
WISWESSER LINE NOTATION :
Z10VQ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
14700 ug/kg
TOXIC EFFECTS :
Nutritional and Gross Metabolic - weight loss or decreased weight gain
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
68250 mg/kg/13W-C
TOXIC EFFECTS :
Kidney, Ureter, Bladder - other changes
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
655 gm/kg/2Y-C
TOXIC EFFECTS :
Tumorigenic - Carcinogenic by RTECS criteria Kidney, Ureter, Bladder - tumors
TYPE OF TEST :
TD - Toxic dose (other than lowest)
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
328 gm/kg/2Y-C
TOXIC EFFECTS :
Tumorigenic - neoplastic by RTECS criteria Skin and Appendages - tumors

MUTATION DATA

TYPE OF TEST :
Sister chromatid exchange
TEST SYSTEM :
Rodent - hamster Ovary
DOSE/DURATION :
500 mg/L
REFERENCE :
EMMUEG Environmental and Molecular Mutagenesis. (Alan R. Liss, Inc., 41 E. 11th St., New York, NY 10003) V.10- 1987- Volume(issue)/page/year: 10(Suppl 10),1,1987 *** REVIEWS *** IARC Cancer Review:Animal Limited Evidence IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) V.1- 1972- Volume(issue)/page/year: 39,239,1986 IARC Cancer Review:Human No Adequate Data IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) V.1- 1972- Volume(issue)/page/year: 39,239,1986 IARC Cancer Review:Group 3 IMSUDL IARC Monographs, Supplement. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) No.1- 1979- Volume(issue)/page/year: 7,56,1987 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X1682 No. of Facilities: 24 (estimated) No. of Industries: 1 No. of Occupations: 2 No. of Employees: 1534 (estimated) No. of Female Employees: 1168 (estimated)
毒理学数据:

1、急性毒性:大鼠经口LDLo14700μg/kg

2、其他多剂量毒性:大鼠经口TDLo68250mg/kg/13W-C

3、慢性毒性/致癌性

大鼠经口TDLo655mg/kg/2Y-C;大鼠经口TD328mg/kg/2Y-C

4   致突变性

地鼠胚胎的形态转化:2500mmol /L

仓鼠卵巢的姐妹染色单体交换:500mg/L

生态数据:

对水稍微危害,避免未稀释或大量的产品接触地下水、水道或污水系统。

11-氨基十一酸; 11-氨基十一烷酸 MSDS


SECTION 1: Identification of the substance/mixture and of the company/undertaking
  Product identifiers
    Product name        : 11-Aminoundecanoic acid    
    REACH No.        : A registration number is not available for this substance as the substance    
    or its uses are exempted from registration, the annual tonnage does not
    require a registration or the registration is envisaged for a later
    registration deadline.
    CAS-No.        : 2432-99-7    
  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
    Not a hazardous substance or mixture according to Regulation (EC) No. 1272/2008.
  Classification according to EU Directives 67/548/EEC or 1999/45/EC
    R52
    For the full text of the R-phrases mentioned in this Section, see Section 16.
  Label elements
  Other hazards
    This substance/mixture contains no components considered to be either persistent, bioaccumulative and
    toxic (PBT), or very persistent and very bioaccumulative (vPvB) at levels of 0.1% or higher.

SECTION 3: Composition/information on ingredients
  Substances
    Formula        : C11H23NO2    
    Molecular weight        : 201,31 g/mol    
    CAS-No.        : 2432-99-7    
    EC-No.        : 219-417-6    
  Hazardous ingredients according to Regulation (EC) No 1272/2008
    Component        Classification        Concentration    
  11-Aminoundecanoic acid
    CAS-No.        2432-99-7        <= 100 %    
    EC-No.        219-417-6    
  Hazardous ingredients according to Directive 1999/45/EC
    Component        Classification        Concentration    
  11-Aminoundecanoic acid
    CAS-No.        2432-99-7        R52        <= 100 %    
    EC-No.        219-417-6    

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
    Flush eyes with water as a precaution.
  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
    The most important known symptoms and effects are described in the labelling (see section 2.2) and/or in
    section 11
  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, Nitrogen oxides (NOx)
  Advice for firefighters
    Wear self-contained breathing apparatus for firefighting if necessary.
  Further information
    No data available

SECTION 6: Accidental release measures
  Personal precautions, protective equipment and emergency procedures
    Avoid dust formation. Avoid breathing vapours, mist or gas. Ensure adequate ventilation.
    For personal protection see section 8.
  Environmental precautions
    Prevent further leakage or spillage if safe to do so. Do not let product enter drains. Discharge into the
    environment must be avoided.
  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
    Provide appropriate exhaust ventilation at places where dust is formed.
    For precautions see section 2.2.
  Conditions for safe storage, including any incompatibilities
    Store in cool place. Keep container tightly closed in a dry and well-ventilated place.
    Storage class (TRGS 510): Non Combustible Solids
  Specific end use(s)
    Apart from the uses mentioned in section 1.2 no other specific uses are stipulated

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
    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
    Choose body protection in relation to its type, to the concentration and amount of dangerous
    substances, and to the specific work-place., The type of protective equipment must be selected
    according to the concentration and amount of the dangerous substance at the specific workplace.
  Respiratory protection
    Respiratory protection is not required. Where protection from nuisance levels of dusts are desired,
    use type N95 (US) or type P1 (EN 143) dust masks. Use respirators and components tested and
    approved under appropriate government standards such as NIOSH (US) or CEN (EU).
  Control of environmental exposure
    Prevent further leakage or spillage if safe to do so. Do not let product enter drains. Discharge into
    the environment must be avoided.

SECTION 9: Physical and chemical properties
  Information on basic physical and chemical properties
    a) Appearance        Form: powder    
    Colour: white
    b) Odour        No data available    
    c) Odour Threshold        No data available    
    d) pH        No data available    
    e) Melting point/freezing        Melting point/range: 188 - 191 °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) The product is not flammable. - Flammability (solids)
    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        0,8 g/l at 25 °C - soluble    
    o) Partition coefficient: n- No data available
    octanol/water
    p) Auto-ignition        > 360 °C at 1.013,25 hPa    
    temperature
    q) Decomposition        > 180 - < 240 °C -    
    temperature
    r) Viscosity        No data available    
    s) Explosive properties        No data available    
    t) Oxidizing properties        No data available    
  Other safety information
    Bulk density        0,5 g/l at 20 °C    

SECTION 10: Stability and reactivity
  Reactivity
    No data available
  Chemical stability
    Stable under recommended storage conditions.
  Possibility of hazardous reactions
    No data available
  Conditions to avoid
    No data available
  Incompatible materials
    Strong bases
  Hazardous decomposition products
    Other decomposition products - No data available
    In the event of fire: see section 5

SECTION 11: Toxicological information
  Information on toxicological effects
  Acute toxicity
    LD50 Oral - Rat - female - 14.700 - 21.500 mg/kg
    (OECD Test Guideline 401)
    LD0 Dermal - Rat - male and female - >= 2.000 mg/kg
    (OECD Test Guideline 402)
  Skin corrosion/irritation
    Skin - Rabbit
    Result: No skin irritation - 23 h
    (OECD Test Guideline 404)
  Serious eye damage/eye irritation
    Eyes - Rabbit
    Result: No eye irritation - 7 d
    (OECD Test Guideline 405)
  Respiratory or skin sensitisation
    Maximisation Test (GPMT) - Guinea pig
    Result: Does not cause skin sensitisation.
    (OECD Test Guideline 406)
  Germ cell mutagenicity
    Hamster
    ovary
    Result: negative
    OECD Test Guideline 484
    Mouse - male
    Result: negative
  Carcinogenicity
    Carcinogenicity - Rat - Oral
    Tumorigenic:Carcinogenic by RTECS criteria. Kidney, Ureter, Bladder:Tumors.
    Carcinogenicity - Rat - Oral
    Tumorigenic:Neoplastic by RTECS criteria. Skin and Appendages: Other: Tumors.
    IARC:        3 - Group 3: Not classifiable as to its carcinogenicity to humans (11-Aminoundecanoic acid)    
  Reproductive toxicity
    No data available
  Specific target organ toxicity - single exposure
    No data available
  Specific target organ toxicity - repeated exposure
    No data available
  Aspiration hazard
    No data available
  Additional Information
    RTECS: YQ2293000

SECTION 12: Ecological information
  Toxicity
    Toxicity to fish        static test LC50 - Danio rerio (zebra fish) - > 833 mg/l - 96 h    
    (OECD Test Guideline 203)
    Toxicity to daphnia and static test EC50 - Daphnia magna (Water flea) - > 350 mg/l - 48 h
    other aquatic        (OECD Test Guideline 202)    
    invertebrates
    Toxicity to algae        static test EC50 - Pseudokirchneriella subcapitata - 53 mg/l - 72 h    
    (OECD Test Guideline 201)
    Toxicity to bacteria        Growth inhibition EC50 - Pseudomonas putida - 1,5 mg/l - 16 h    
  Persistence and degradability
    Biodegradability        aerobic - Exposure time 28 d    
    Result: 77 % - Readily biodegradable.
    (OECD Test Guideline 301B)
  Bioaccumulative potential
    No data available
  Mobility in soil
    No data available
  Results of PBT and vPvB assessment
    This substance/mixture contains no components considered to be either persistent, bioaccumulative and
    toxic (PBT), or very persistent and very bioaccumulative (vPvB) at levels of 0.1% or higher.
  Other adverse effects
    Harmful to aquatic life.

SECTION 13: Disposal considerations
  Waste treatment methods
  Product
    Offer surplus and non-recyclable solutions to a licensed disposal company. 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
    For this product a chemical safety assessment was not carried out

SECTION 16: Other information
  Full text of R-phrases referred to under sections 2 and 3
    R52 Harmful to aquatic organisms.
  Further information
    Copyright 2014 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.

11-氨基十一酸; 11-氨基十一烷酸 分子结构与计算化学数据

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:2

3.氢键受体数量:3

4.可旋转化学键数量:10

5.互变异构体数量:无

6.拓扑分子极性表面积63.3

7.重原子数量:14

8.表面电荷:0

9.复杂度:137

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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