α-水芹烯

α-水芹烯 基本信息
CAS号 99-83-2 分子式 C10H16
分子量 136.23400 精确质量  136.12500
PSA  0.00000 LogP  3.16480

等价的CAS号:

99-83-2,4221-98-1,13811-01-3,2243-33-6

基本信息 展开↓

CAS号:
99-83-2
3D弹球模型:
立即前往扯扯看
分子式:
C10H16
分子量:
136.23400
中文名称:
α-水芹烯
英文名称:
α-phellandrene
中文别名:
α-水芹烯;
Alpha-水芹烯,天然品
英文别名:
α-phellandrene;
alpha-phellandrene;
5-isopropyl-2-methylcyclohexa-1,3-diene;
ISONICOTINIC ACID,3-THUJYLIDENEHYDRAZIDE;
(3R,5R)-(+)-2,6-DIMETHYL-3,5-HEPTANEDIOL;
3-Thujylidenehydrazide of isonicotinic acid;
2-Methyl-5-isopropyl-3-isonicotinoylhydrazono-bicyclo[3.1.0]hexan;
5-isopropyl-2-methyl-1,3-cyclohexadiene;
2-methyl-5-isopropylcyclohexa-1,3-diene
精确分子量/精确质量:
136.12500
极性分子表面积/PSA:
0.00000
油水分配系数/LogP:

LogP值指的是某物质在正辛醇/水两相体系中的分配系数的对数值,反映了物质在油水两相中的分配情况。其中、LogP值越大,说明该物质越亲油;反之,LogP值越小,则说明该物质越亲水。
贝尔斯坦号/MDL:
MFCD00040419
EINECS:
202-792-5
PubChem:
24901345
InChI:
The Key: OGLDWXZKYODSOB-JTQLQIEISA-N

物化性质展开↓

密度:
0.85 g/mL at 25ºC(lit.)
沸点:
171.5ºC at 760 mmHg
闪点:
117 °F
折射率:
n20/D 1.474(lit.)

安全信息展开↓

包装等级:
III
风险类别:
3.2
海关代码:
2902199090
危险类别码:
10-22-36/37/38-43
安全说明:
16-26-36/37

化学图谱

  1. α-水芹烯红外图谱(IR2)

  2. α-水芹烯质谱(MS)

上一页 1/4 下一页

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
OS8080000
CHEMICAL NAME :
p-Mentha-1,5-diene
CAS REGISTRY NUMBER :
99-83-2
BEILSTEIN REFERENCE NO. :
1280394
LAST UPDATED :
199701
DATA ITEMS CITED :
4
MOLECULAR FORMULA :
C10-H16
MOLECULAR WEIGHT :
136.26

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Human - man
REFERENCE :
FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 16,843,1978 ** ACUTE TOXICITY DATA **
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
5700 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 16,843,1978 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X2097 No. of Facilities: 361 (estimated) No. of Industries: 9 No. of Occupations: 8 No. of Employees: 13236 (estimated) No. of Female Employees: 2826 (estimated)

MSDS 展开↓


SECTION 1: Identification of the substance/mixture and of the company/undertaking
  Product identifiers
    Product name        : α-Phellandrene    
    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.        : 99-83-2    
  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
    Flammable liquids (Category 3), H226
    Acute toxicity, Oral (Category 4), H302
    Skin irritation (Category 2), H315
    Eye irritation (Category 2), H319
    Respiratory sensitisation (Category 1), H334
    Specific target organ toxicity - single exposure (Category 3), H335
    For the full text of the H-Statements mentioned in this Section, see Section 16.
  Classification according to EU Directives 67/548/EEC or 1999/45/EC
    Xn, F Harmful, Flammable        R10, R22, R36/37/38, R43    
    For the full text of the R-phrases mentioned in this Section, see Section 16.
  Label elements
  Labelling according Regulation (EC) No 1272/2008
    Pictogram
    Signal word        Danger    
    Hazard statement(s)
    H226        Flammable liquid and vapour.    
    H302        Harmful if swallowed.    
    H315        Causes skin irritation.    
    H319        Causes serious eye irritation.    
    H334        May cause allergy or asthma symptoms or breathing difficulties if inhaled.    
    H335        May cause respiratory irritation.    
    Precautionary statement(s)
    P261        Avoid breathing vapours.    
    P305 + P351 + P338        IF IN EYES: Rinse cautiously with water for several minutes. Remove    
    contact lenses, if present and easy to do. Continue rinsing.
    P342 + P311        If experiencing respiratory symptoms: Call a POISON CENTER or doctor/    
    physician.
    Supplemental Hazard        none    
    Statements
  Other hazards
    Rapidly absorbed through skin.

SECTION 3: Composition/information on ingredients
  Substances
    Formula        : C10H16    
    Molecular Weight        : 136,23 g/mol    
    CAS-No.        : 99-83-2    
    EC-No.        : 202-792-5    
  Hazardous ingredients according to Regulation (EC) No 1272/2008
    Component        Classification        Concentration    
  p-Mentha-1,5-diene
    CAS-No.        99-83-2        Flam. Liq. 3; Acute Tox. 4;        50 - 100 %    
    EC-No.        202-792-5        Skin Irrit. 2; Eye Irrit. 2; Resp.    
    Sens. 1; STOT SE 3; H226,
    H302, H315, H319, H334,
    H335
  Hazardous ingredients according to Directive 1999/45/EC
    Component        Classification        Concentration    
  p-Mentha-1,5-diene
    CAS-No.        99-83-2        Xn, F, R10 - R22 - R36/37/38 - 50 - 100 %    
    EC-No.        202-792-5        R43    
    For the full text of the H-Statements and R-Phrases mentioned in this Section, see Section 16

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
    Do NOT induce vomiting. 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
  Advice for firefighters
    Wear self contained breathing apparatus for fire fighting if necessary.
  Further information
    Use water spray to cool unopened containers.

SECTION 6: Accidental release measures
  Personal precautions, protective equipment and emergency procedures
    Use personal protective equipment. Avoid breathing vapours, mist or gas. Ensure adequate ventilation.
    Remove all sources of ignition. Evacuate personnel to safe areas. Beware of vapours accumulating to
    form explosive concentrations. Vapours can accumulate in low areas.
    For personal protection see section 8.
  Environmental precautions
    Prevent further leakage or spillage if safe to do so. Do not let product enter drains.
  Methods and materials for containment and cleaning up
    Contain spillage, and then collect with an electrically protected vacuum cleaner or by wet-brushing and
    place in container for disposal according to local regulations (see section 13).
  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 inhalation of vapour or mist.
    Keep away from sources of ignition - No smoking.Take measures to prevent the build up of electrostatic
    charge.
    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. Containers which are
    opened must be carefully resealed and kept upright to prevent leakage.
    Air and light sensitive.
  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
    Face shield and safety glasses 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, Flame retardant antistatic protective clothing, The type
    of protective equipment must be selected according to the concentration and amount of the
    dangerous substance at the specific workplace.
  Respiratory protection
    Where risk assessment shows air-purifying respirators are appropriate use a full-face respirator
    with multi-purpose combination (US) or type ABEK (EN 14387) respirator cartridges as a backup
    to engineering controls. If the respirator is the sole means of protection, use a full-face supplied air
    respirator. 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.

SECTION 9: Physical and chemical properties
  Information on basic physical and chemical properties
    a) Appearance        Form: liquid    
    Colour: colourless
    b) Odour        no data available    
    c) Odour Threshold        no data available    
    d) pH        no data available    
    e) Melting point/freezing        no data available    
    point
    f) Initial boiling point and 171,5 °C at 1.013 hPa
    boiling range
    g) Flash point        47 °C - closed cup    
    h) Evapouration 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        0,85 g/cm3 at 25 °C    
    n) Water solubility        no data available    
    o) Partition coefficient: n-        log Pow: 2,36 - The preceding data, or interpretation of data, was    
    octanol/water        determined using Quantitative Structure Activity Relationship (QSAR)    
    modeling.
    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
    Stable under recommended storage conditions.
  Possibility of hazardous reactions
    no data available
  Conditions to avoid
    Heat, flames and sparks.
  Incompatible materials
    Strong oxidizing agents
  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
    no data available
    Inhalation: no data available
  Skin corrosion/irritation
    no data available
  Serious eye damage/eye irritation
    no data available
  Respiratory or skin sensitisation
  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
  Additional Information
    RTECS: OS8080000
    burning sensation, Cough, wheezing, laryngitis, Shortness of breath, Headache, Nausea, Vomiting, To the
    best of our knowledge, the chemical, physical, and toxicological properties have not been thoroughly
    investigated.

SECTION 12: Ecological information
  Toxicity
  Persistence and degradability
    no data available
  Bioaccumulative potential
    no data available
  Mobility in soil
    no data available
  Results of PBT and vPvB assessment
    PBT/vPvB assessment not available as chemical safety assessment not required/not conducted
  Other adverse effects
    no data available

SECTION 13: Disposal considerations
  Waste treatment methods
  Product
    Burn in a chemical incinerator equipped with an afterburner and scrubber but exert extra care in igniting
    as this material is highly flammable. Offer surplus and non-recyclable solutions to a licensed disposal
    company.
  Contaminated packaging
    Dispose of as unused product.

SECTION 14: Transport information
  UN number
    ADR/RID: 2319        IMDG: 2319        IATA: 2319    
  UN proper shipping name
    ADR/RID: TERPENE HYDROCARBONS, N.O.S.
    IMDG: TERPENE HYDROCARBONS, N.O.S.
    IATA:        Terpene hydrocarbons, n.o.s.    
  Transport hazard class(es)
    ADR/RID: 3        IMDG: 3        IATA: 3    
  Packaging group
    ADR/RID: III        IMDG: III        IATA: III    
  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 H-Statements referred to under sections 2 and 3.
    Acute Tox.        Acute toxicity    
    Eye Irrit.        Eye irritation    
    Flam. Liq.        Flammable liquids    
    H226        Flammable liquid and vapour.    
    H302        Harmful if swallowed.    
    H315        Causes skin irritation.    
    H319        Causes serious eye irritation.    
    H334        May cause allergy or asthma symptoms or breathing difficulties if inhaled.    
    H335        May cause respiratory irritation.    
    Resp. Sens.        Respiratory sensitisation    
    Skin Irrit.        Skin irritation    
    STOT SE        Specific target organ toxicity - single exposure    
  Full text of R-phrases referred to under sections 2 and 3
    F        Flammable    
    Xn        Harmful    
    R10        Flammable.    
    R22        Harmful if swallowed.    
    R36/37/38        Irritating to eyes, respiratory system and skin.    
    R43        May cause sensitisation by skin contact.    
  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.

海关数据查看详细

中国海关编码:2902199090

概述:
2902199090 其他环烷烃、环烯烃及环萜烯。监管条件:无。增值税率:17.0%。退税率:9.0%。最惠国关税:2.0%。普通关税:30.0%
申报要素:
品名, 成分含量
摘要/Summary:
2902199090 other cyclanes, cyclenes and cyclotherpenes。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:2.0%。General tariff:30.0%

分子结构与计算化学数据展开↓

分子结构数据


1、  摩尔折射率:45.44

2、  摩尔体积(cm3/mol):163.1

3、  等张比容(90.2K):368.3

4、  表面张力(dyne/cm):25.9

5、  极化率(10-24cm3):18.01

上下游相关产品

下游产品

更多
  • 563-45-1

    3-甲基-1-丁烯

  • 99-86-5

    松油烯

  • 99-87-6

    4-异丙基甲苯

  • 99-85-4

    γ-松油烯

  • 586-63-0

    3-methyl-6-propan-2-ylidenecyclohexene

立即下载安装“化学加”APP
专业、功能强大,随时调用更加方便