洋葱油

洋葱油 基本信息
CAS号 8002-72-0 分子式 C7H16ClNO2
分子量 181.66000 精确质量  181.08700
PSA  52.32000 LogP  2.03510

基本信息 展开↓

CAS号:
8002-72-0
分子式:
C7H16ClNO2
分子量:
181.66000
中文名称:
洋葱油
英文名称:
methyl (2R,3R)-2-amino-3-methylpentanoate,hydrochloride
中文别名:
洋葱油;
洋葱精;
洋葱素;
Onion oleoresin
英文别名:
methyl (2R,3R)-2-amino-3-methylpentanoate,hydrochloride;
D-ISOLEUCINE METHYL ESTER HYDROCHLORIDE;
Oils,Allium cepa
精确分子量/精确质量:
181.08700
极性分子表面积/PSA:
52.32000
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。
EINECS:
218-550-7

生产制备方法及用途展开↓

合成制备方法


由橄榄科植物乳香树(Boswellia carterii)或其他乳香属树所得的油树胶树脂经水蒸气蒸馏而得。树枝中含精油3%~8%。

用途


准许使用的食用香料。加于橙油和柠檬油中赋以新鲜感。

物化性质展开↓

稳定性相关:

主要成分双戊烯、水芹烯、杜松烯、马鞭草烯酮等。

其它信息:

1.性状:淡黄至淡褐绿色挥发性精油。具有一种轻微的柠檬和苹果皮似的甜香脂香气。

2.闪点(℃):178

3. 沸点(℃):164

4.溶解性:溶于大多数非挥发性油。可溶于矿物油,但有轻度浑浊。不溶于甘油和丙二醇。

 

MSDS 展开↓


Section 1. Chemical Product and Company Identification
    Onion oil        Catalog    
    Common Name/
    Number(s).
    Trade Name
    CAS#        8002-72-0    
    Manufacturer
    RTECS        RL0725000    
    SPECTRUM CHEMICAL MFG. CORP.
    TSCA        TSCA 8(b) inventory: Onion    
    oil
    Commercial Name(s)        Not available.    
    CI# Not available.
    Synonym        Not available.    
    IN CASE OF EMERGENCY
    Not available.
    Chemical Name
    Chemical Family        Not available.        CALL (310) 516-8000    
    Not available.
    Chemical Formula
    SPECTRUM CHEMICAL MFG. CORP.

Section 2.Composition and Information on Ingredients
    Exposure Limits
    TWA (mg/m3)        STEL (mg/m3) CEIL (mg/m3)    
    Name        CAS #        % by Weight    
    1) Onion oil        8002-72-0        100    
    Toxicological Data        Onion oil:    
    on Ingredients        ORAL (LD50):        Acute: 1100 mg/kg [Mouse].    

Section 3. Hazards Identification
    Potential Acute Health Effects Very hazardous in case of eye contact (irritant). Hazardous in case of skin contact (irritant), of ingestion, of
    inhalation. Inflammation of the eye is characterized by redness, watering, and itching.
    Potential Chronic Health        CARCINOGENIC EFFECTS: Not available.    
    MUTAGENIC EFFECTS: Not available.
    Effects
    TERATOGENIC EFFECTS: Not available.
    DEVELOPMENTAL TOXICITY: Not available.
    Repeated or prolonged exposure is not known to aggravate medical condition.
    Onion oil

Section 4. First Aid Measures
    Eye Contact        Check for and remove any contact lenses. Do not use an eye ointment. Seek medical attention.    
    Skin Contact        After contact with skin, wash immediately with plenty of water. Gently and thoroughly wash the contaminated skin    
    with running water and non-abrasive soap. Be particularly careful to clean folds, crevices, creases and groin.
    Cover the irritated skin with an emollient. If irritation persists, seek medical attention. Wash contaminated
    clothing before reusing.
    Serious Skin Contact        Wash with a disinfectant soap and cover the contaminated skin with an anti-bacterial cream. Seek immediate    
    medical attention.
    Inhalation        Allow the victim to rest in a well ventilated area. Seek immediate medical attention.    
    Serious Inhalation        Not available.    
    Ingestion        Do not induce vomiting. Examine the lips and mouth to ascertain whether the tissues are damaged, a possible    
    indication that the toxic material was ingested; the absence of such signs, however, is not conclusive. Loosen
    tight clothing such as a collar, tie, belt or waistband. If the victim is not breathing, perform mouth-to-mouth
    resuscitation. Seek immediate medical attention.
    Serious Ingestion        Not available.    

Section 5. Fire and Explosion Data
    Flammability of the Product May be combustible at high temperature.
    Auto-Ignition Temperature Not available.
    Flash Points        Not available.    
    Flammable Limits        Not available.    
    Products of Combustion        Not available.    
    Fire Hazards in Presence of Not available.
    Various Substances
    Explosion Hazards in Presence Risks of explosion of the product in presence of mechanical impact: Not available.
    of Various Substances        Risks of explosion of the product in presence of static discharge: Not available.    
    Fire Fighting Media        SMALL FIRE: Use DRY chemical powder.    
    and Instructions        LARGE FIRE: Use water spray, fog or foam. Do not use water jet.    
    Special Remarks on        Not available.    
    Fire Hazards
    Special Remarks on Explosion Not available.
    Hazards

Section 6. Accidental Release Measures
    Small Spill        Absorb with an inert material and put the spilled material in an appropriate waste disposal.    
    Large Spill        Absorb with an inert material and put the spilled material in an appropriate waste disposal. Finish cleaning by    
    spreading water on the contaminated surface and allow to evacuate through the sanitary system.
    Onion oil

Section 7. Handling and Storage
    Precautions        Keep away from heat. Keep away from sources of ignition. Empty containers pose a fire risk, evaporate the    
    residue under a fume hood. Ground all equipment containing material. Do not ingest. Do not breathe gas/fumes/
    vapour/spray. In case of insufficient ventilation, wear suitable respiratory equipment If ingested, seek medical
    advice immediately and show the container or the label. Avoid contact with skin and eyes
    Storage        Keep container dry. Keep in a cool place. Ground all equipment containing material. Keep container tightly    
    closed. Keep in a cool, well-ventilated place. Combustible materials should be stored away from extreme heat
    and away from strong oxidizing agents.

Section 8. Exposure Controls/Personal Protection
    Engineering Controls        Provide exhaust ventilation or other engineering controls to keep the airborne concentrations of vapors below their    
    respective threshold limit value. Ensure that eyewash stations and safety showers are proximal to the
    work-station location.
    Personal Protection        Splash goggles. Lab coat. Vapor respirator. Be sure to use an approved/certified respirator or equivalent.    
    Gloves.
    Personal Protection in Case of Splash goggles. Full suit. Vapor respirator. Boots. Gloves. A self contained breathing apparatus should be
    a Large Spill        used to avoid inhalation of the product. Suggested protective clothing might not be sufficient; consult a specialist    
    BEFORE handling this product.
    Exposure Limits        Not available.    

Section 9. Physical and Chemical Properties
    Physical state and appearance Liquid.        Odor        Not available.    
    Taste        Not available.    
    Not available.
    Molecular Weight
    Color        Not available.    
    pH (1% soln/water)        Not available.    
    Boiling Point        Not available.    
    Melting Point        Not available.    
    Critical Temperature        Not available.    
    Specific Gravity        1.08 (Water = 1)    
    Not available.
    Vapor Pressure
    Vapor Density        Not available.    
    Volatility        Not available.    
    Odor Threshold        Not available.    
    Water/Oil Dist. Coeff.        Not available.    
    Not available.
    Ionicity (in Water)
    Dispersion Properties        Not available.    
    Not available.
    Solubility

Section 10. Stability and Reactivity Data
    The product is stable.
    Stability
    Instability Temperature        Not available.    
    Not available.
    Conditions of Instability
    Incompatibility with various Not available.
    substances
    Onion oil
    Corrosivity        Non-corrosive in presence of glass.    
    Special Remarks on        Not available.    
    Reactivity
    Special Remarks on        Not available.    
    Corrosivity
    Polymerization        No.    

Section 11. Toxicological Information
    Routes of Entry        Eye contact. Inhalation. Ingestion.    
    Toxicity to Animals        Acute oral toxicity (LD50): 1100 mg/kg [Mouse].    
    Chronic Effects on Humans Not available.
    Other Toxic Effects on        Hazardous in case of skin contact (irritant), of ingestion, of inhalation.    
    Humans
    Special Remarks on        Not available.    
    Toxicity to Animals
    Special Remarks on        Not available.    
    Chronic Effects on Humans
    Special Remarks on other        Not available.    
    Toxic Effects on Humans

Section 12. Ecological Information
    Ecotoxicity        Not available.    
    BOD5 and COD        Not available.    
    Products of Biodegradation        Possibly hazardous short term degradation products are not likely. However, long term degradation products may    
    arise.
    Toxicity of the Products        The products of degradation are more toxic.    
    of Biodegradation
    Special Remarks on the        Not available.    
    Products of Biodegradation

Section 13. Disposal Considerations
    Waste Disposal

Section 14. Transport Information
    DOT Classification        Not a DOT controlled material (United States).    
    Identification        Not applicable.    
    Special Provisions for        Not applicable.    
    Transport
    Onion oil
    DOT (Pictograms)

Section 15. Other Regulatory Information and Pictograms
    TSCA 8(b) inventory: Onion oil
    Federal and State
    Regulations
    California        California prop. 65: This product contains the following ingredients for which the State of California has found    
    to cause cancer which would require a warning under the statute: No products were found.
    Proposition 65
    Warnings
    California prop. 65: This product contains the following ingredients for which the State of California has found
    to cause birth defects which would require a warning under the statute: No products were found.
    Other Regulations        OSHA: Hazardous by definition of Hazard Communication Standard (29 CFR 1910.1200).    
    WHMIS (Canada) CLASS D-2B: Material causing other toxic effects (TOXIC).
    Other Classifications
    DSCL (EEC)        R38- Irritating to skin.    
    R41- Risk of serious damage to eyes.
    Health Hazard
    HMIS (U.S.A.)        2 National Fire Protection    
    1 Flammability
    1 Association (U.S.A.)
    Fire Hazard
    2 0 Reactivity
    Health
    Reactivity
    0
    Specific hazard
    Personal Protection
    h
    WHMIS (Canada)
    (Pictograms)
    DSCL (Europe)
    (Pictograms)
    TDG (Canada)
    (Pictograms)
    ADR (Europe)
    (Pictograms)
    Protective Equipment
    Gloves.
    Lab coat.
    Onion oil
    Vapor respirator. Be sure to use an
    approved/certified respirator or
    equivalent. Wear appropriate respirator
    when ventilation is inadequate.


SECTION 16 - ADDITIONAL INFORMATION
N/A

分子结构与计算化学数据展开↓

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:4

5.互变异构体数量:无

6.拓扑分子极性表面积52.3

7.重原子数量:11

8.表面电荷:0

9.复杂度:114

10.同位素原子数量:0

11.确定原子立构中心数量:2

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:2

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