丁酸香叶酯，天然品,106-29-6，生产厂家，价格-洛克化工网移动版

丁酸香叶酯，天然品

中文名称：: 丁酸香叶酯，天然品

中文别名：: 丁酸香叶酯;
丁酸叶醇酯

英文名称：: Butanoic acid,(2E)-3,7-dimethyl-2,6-octadien-1-yl ester

英文别名：: Geranyl butyrate;
3,7-Dimethylocta-2,6-dien-1-yl butyrate;
GERANYL BUTYRATE;
Geranyl Butyrate

CAS No.：: 106-29-6

分子式：: C₁₄H₂₄O₂

分子量：: 224.34

精确分子量：: 224.17800

PSA：: 26.30000

MDL：: MFCD00036538

EINECS：: 203-381-3

InChI：: InChI=1/C14H24O2/c1-5-7-14(15)16-11-10-13(4)9-6-8-12(2)3/h8,10H,5-7,9,11H2,1-4H3/b13-10+3

危险品标志：: Xi

风险术语：: R36/37/38

安全术语：: S26;S36

分子结构式：

SDS：: 查看

丁酸香叶酯，天然品制备方法及用途

制备方法

由香叶醇丁酰化而制得,或从植物精油中分馏得到。

合成制备方法

由香叶醇丁酰化而制得，或从植物精油中分馏得到。

用途简介

配制苹果、菠萝、樱桃、桃子、草莓、梨子等食用香精、香皂及日用化妆品香精,如金合欢、铃兰、红玫瑰、香叶、薰衣草等多种香型香精。产品质量:含量>90%。

用途

配制苹果、菠萝、樱桃、桃子、草莓、梨子等食用香精、香皂及日用化妆品香精，如金合欢、铃兰、红玫瑰、香叶、薰衣草等多种香型香精。产品质量：含量＞90％。

丁酸香叶酯，天然品物化性质

外观与性状：: 无色至淡黄色液体
密度：: 0.896 g/mL at 25 °C(lit.)
沸点：: 151-153 °C18 mm Hg(lit.)
闪点：: >230 °F
折射率：: n20/D 1.461(lit.)
蒸汽压：: 0.00116mmHg at 25°C
存储条件/存储方法：: 玻璃瓶包装。贮存于阴凉通风处。
稳定性相关：: 具有苹果和玫瑰花香味。天然品主要存在于薰衣草油中。
无色液体。新鲜果香，似玫瑰香气和杏的甜味。
易溶于乙醇、乙醚、丙酮、乙酸乙酯等有机溶剂，不溶于水、甘油、丙二醇。
其它信息：: 1.      性状：无色至淡黄色油状液体
2.      密度（g/mL,25℃）：0.896
3.      相对蒸汽密度（g/mL,空气=1）：未确定
4.      熔点（ºC）：未确定
5.      沸点（ºC,常压）：未确定
6.      沸点（ºC, 18mmHg）：253
7.      折射率（_D²⁰)：1.461
8.      闪点（ºC）：93
9.      比旋光度（ºC）：未确定
10.   自燃点或引燃温度（ºC）: 未确定
11.   蒸气压（mmHg,20ºC）：未确定
12.   饱和蒸气压（kPa, ºC）：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：易溶于乙醇、乙醚、丙酮、乙酸乙酯等有机溶剂，不溶于水、甘油、丙二醇。

丁酸香叶酯，天然品安全信息

海关代码：: 2930200015
WGK_Germany：: 2
德国有关水污染物质的分类清单
危险类别码：: R36/37/38
安全说明：: S26-S36
RTECS号：: ES9990000
安全标志：: S36:穿戴合适的防护服装。
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：: Xi:Irritant;

丁酸香叶酯，天然品毒理性

CHEMICAL IDENTIFICATION

RTECS NUMBER :: ES9990000

CHEMICAL NAME :: Butyric acid, 3,7-dimethyl-2,6-octadienyl ester, (E)-

CAS REGISTRY NUMBER :: 106-29-6

LAST UPDATED :: 199701

DATA ITEMS CITED :: 6

MOLECULAR FORMULA :: C14-H24-O2

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 10660 mg/kg

TOXIC EFFECTS :: Behavioral - somnolence (general depressed activity) Behavioral - coma

REFERENCE :: FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 2,327,1964

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: 5 gm/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: 12,889,1974 ** OTHER MULTIPLE DOSE TOXICITY DATA **

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 15250 mg/kg/61D-I

TOXIC EFFECTS :: Liver - liver function tests impaired Blood - other changes

REFERENCE :: TOVEFN Toksikologicheskii Vestnik. (18-20 Vadkovskii per. Moscow, 101479, Russia) History Unknown Volume(issue)/page/year: (3),14,1996 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - M4598 No. of Facilities: 32 (estimated) No. of Industries: 2 No. of Occupations: 24 No. of Employees: 5523 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - M4598 No. of Facilities: 1857 (estimated) No. of Industries: 9 No. of Occupations: 42 No. of Employees: 28986 (estimated) No. of Female Employees: 16195 (estimated)

毒理学数据：: 1、急性毒性：大鼠经口LD50：10660mg/kg；兔子皮肤接触LD50：5mg/kg。

丁酸香叶酯，天然品 MSDS

SECTION 1: Identification of the substance/mixture and of the company/undertaking
  Product identifiers
    Product name        : Geranyl butyrate
    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.        : 106-29-6
  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
    Skin irritation (Category 2), H315
    Eye irritation (Category 2), H319
    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
    Xi Irritant        R36/37/38
    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        Warning
    Hazard statement(s)
    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
  Other hazards - none

SECTION 3: Composition/information on ingredients
  Substances
    Formula        : C14H24O2
    Molecular Weight        : 224,34 g/mol
    CAS-No.        : 106-29-6
    EC-No.        : 203-381-3
  Hazardous ingredients according to Regulation (EC) No 1272/2008
    Component        Classification        Concentration
  Geranyl butyrate
    CAS-No.        106-29-6        Skin Irrit. 2; Eye Irrit. 2; STOT        <= 100 %
    EC-No.        203-381-3        SE 3; H315, H319, H335
  Hazardous ingredients according to Directive 1999/45/EC
    Component        Classification        Concentration
  Geranyl butyrate
    CAS-No.        106-29-6        Xi, R36/37/38        <= 100 %
    EC-No.        203-381-3
    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
    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
    no data available

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.
    Evacuate personnel to safe areas.
    For personal protection see section 8.
  Environmental precautions
    Do not let product enter drains.
  Methods and materials for containment and cleaning up
    Soak up with inert absorbent material and dispose of as hazardous waste. 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 inhalation of vapour or mist.
    Normal measures for preventive fire protection.
    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.
  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
    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.
    Full contact
    Material: Nitrile rubber
    Minimum layer thickness: 0,2 mm
    Break through time: 480 min
    Material tested:Dermatril® P (KCL 743 / Z677388, Size M)
    Splash contact
    Material: Nitrile rubber
    Minimum layer thickness: 0,11 mm
    Break through time: 151 min
    Material tested:Dermatril® (KCL 740 / Z677272, Size M)
    data source: KCL GmbH, D-36124 Eichenzell, phone +49 (0)6659 87300,     test method: EN374
    If used in solution, or mixed with other substances, and under conditions which differ from EN 374,
    contact the supplier of the CE approved gloves. This recommendation is advisory only and must
    be evaluated by an industrial hygienist and safety officer familiar with the specific situation of
    anticipated use by our customers. It should not be construed as offering an approval for any
    specific use scenario.
  Body Protection
    impervious 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
    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 151 - 153 °C at 24 hPa - lit.
    boiling range
    g) Flash point        113 °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        0,896 g/cm3 at 25 °C
    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
    Stable under recommended storage conditions.
  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
    In the event of fire: see section 5

SECTION 11: Toxicological information
  Information on toxicological effects
  Acute toxicity
    LD50 Oral - rat - 10.660 mg/kg
    Remarks: Behavioral:Somnolence (general depressed activity). Behavioral:Coma.
    Inhalation: no data available
    LD50 Dermal - rabbit - 5.000 mg/kg
  Skin corrosion/irritation
    no data available
  Serious eye damage/eye irritation
    no data available
  Respiratory or skin sensitisation
    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
  Additional Information
    RTECS: ES9990000
    To the best of our knowledge, the chemical, physical, and toxicological properties have not been
    thoroughly investigated.

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
    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
    Offer surplus and non-recyclable solutions to a licensed disposal company. Contact a licensed
    professional waste disposal service to dispose of this material.
  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
N/A

SECTION 16 - ADDITIONAL INFORMATION
N/A

丁酸香叶酯，天然品海关数据

中国海关编码：2930200015

概述：: 2930200015 丁草敌、克草敌、茵草敌、灭草敌等〔包括环草敌〕。监管条件:S(进出口农药登记证明)。增值税率:17.0%。退税率:9.0%。最低关税:6.5%。普通关税:30.0%
摘要/Summary：: 2930200015 butyrate。supervision conditions:s(import or export registration certificate for pesticides)。VAT:17.0%。tax rebate rate:9.0%。MFN tarrif:6.5%。general tariff:30.0%

丁酸香叶酯，天然品分子结构与计算化学数据

分子结构数据

1、摩尔折射率：68.48

2、摩尔体积（cm³/mol）：249.9

3、等张比容（90.2K）：580.6

4、表面张力（dyne/cm）：29.1

5、介电常数：

6、偶极距（10^-24cm³）：

7、极化率：27.14

计算化学数据

1、疏水参数计算参考值（XlogP）：4.3

2、氢键供体数量：0

3、氢键受体数量：2

4、可旋转化学键数量：8

5、互变异构体数量：

6、拓扑分子极性表面积（TPSA）：26.3

7、重原子数量：16

8、表面电荷：0

9、复杂度：258

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：1

14、不确定化学键立构中心数量：0

15、共价键单元数量：1

丁酸香叶酯，天然品上游产品

巴豆醛香叶醇丁酸丁酰氯丁醛