6939-75-9

6939-75-9结构式
6939-75-9结构式

化源商城直购

中文名 苄基月桂酸酯
英文名 benzyl 4-oxopentanoate
中文别名 苄基乙酰丙酸
英文别名 levulinic acid benzyl ester
4-oxo-1-pentanoic acid phenylmethyl ester
4-oxopentanoic acid benzyl ester
phenylmethyl 4-oxopentanoate
Benzyl levulinate
Laevulinsaeurebenzylester
Benzyl 4-oxovalerate
密度 1.091g/cm3
沸点 317.2ºC at 760 mmHg
分子式 C12H14O3
分子量 206.23800
闪点 138.3ºC
精确质量 206.09400
PSA 43.37000
LogP 2.09900
折射率 1.506
计算化学

1.疏水参数计算参考值(XlogP):1.2

2.氢键供体数量:0

3.氢键受体数量:3

4.可旋转化学键数量:6

5.互变异构体数量:3

6.拓扑分子极性表面积:43.4

7.重原子数量:15

8.表面电荷:0

9.复杂度:217

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

Name: Benzyl levulinate 96%(GC) Material Safety Data Sheet
Synonym: Benzyl 4-oxovalerat
CAS: 6939-75-9
Section 1 - Chemical Product MSDS Name:Benzyl levulinate 96%(GC) Material Safety Data Sheet
Synonym:Benzyl 4-oxovalerat

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
6939-75-9 Benzyl levulinate 96 230-075-7
Hazard Symbols: None Listed.
Risk Phrases: None Listed.

Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
The toxicological properties of this material have not been fully investigated.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation.
Ingestion:
May cause irritation of the digestive tract. The toxicological properties of this substance have not been fully investigated.
Inhalation:
May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated.
Chronic:
No information found.

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.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse.
Ingestion:
Never give anything by mouth to an unconscious person. Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water.
Inhalation:
Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
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. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion. Vapors may be heavier than air. They can spread along the ground and collect in low or confined areas.
Extinguishing Media:
Use water spray, dry chemical, carbon dioxide, or appropriate foam.

Section 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Clean up spills immediately, observing precautions in the Protective Equipment section. Cover with sand, dry lime or soda ash and place in a closed container for disposal. Provide ventilation.

Section 7 - HANDLING and STORAGE
Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use with adequate ventilation. Avoid contact with eyes, skin, and 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:
Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 6939-75-9: 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:
A respiratory protection program that meets OSHA's 29 CFR 1910.134 and ANSI Z88.2 requirements or European Standard EN 149 must be followed whenever workplace conditions warrant respirator use.

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Clear liquid
Color: clear yellow
Odor: None reported.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: Not available.
Autoignition Temperature: Not applicable.
Flash Point: Not applicable.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature: Not available.
Solubility in water: Not available.
Specific Gravity/Density: 1.0730g/cm3
Molecular Formula: C12H14O3
Molecular Weight: 206.22

Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, strong oxidants.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Irritating and toxic fumes and gases.
Hazardous Polymerization: Has not been reported.

Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 6939-75-9 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Benzyl levulinate - Not listed by ACGIH, IARC, or NTP.

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: Not available.
Risk Phrases:
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
WGK (Water Danger/Protection)
CAS# 6939-75-9: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 6939-75-9 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 6939-75-9 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A
海关编码 2918300090

~94%

6939-75-9结构式

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文献:Goossen, Lukas J.; Doehring, Arno Synlett, 2004 , # 2 p. 263 - 266

~79%

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文献:Wills, A. Jonathan; Krishnan-Ghosh, Yamuna; Balasubramanian, Shankar Journal of Organic Chemistry, 2002 , vol. 67, # 19 p. 6646 - 6652

~46%

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文献:Boger, Dale L.; Mathvink, Robert J. Journal of Organic Chemistry, 1992 , vol. 57, # 5 p. 1429 - 1443

~%

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文献:E. I. DU PONT DE NEMOURS AND COMPANY Patent: US2005/210738 A1, 2005 ; Location in patent: Page/Page column 5; 9 ;

~76%

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6939-75-9

文献:Xu; Singh; Gopal; Sayre Chemical Research in Toxicology, 2001 , vol. 14, # 3 p. 264 - 274

~%

6939-75-9结构式

6939-75-9

文献:Kawai et al. Kogyo Kagaku Zasshi, 1954 , vol. 57, p. 158 Chem.Abstr., 1955 , p. 11595
海关编码 2918300090
中文概述 2918300090 其他含醛基或酮基不含其他含氧基羧酸(包括酸酐、酰卤化物、过氧化物和过氧酸及该税号的衍生物). 增值税率:17.0% 退税率:9.0% 监管条件:无 最惠国关税:6.5% 普通关税:30.0%
申报要素 品名, 成分含量, 用途
Summary 2918300090 other carboxylic acids with aldehyde or ketone function but without other oxygen function, their anhydrides, halides, peroxides, peroxyacids and their derivatives。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:6.5%。General tariff:30.0%