trans-Benzalacetone

毒理性

CHEMICAL IDENTIFICATION

RTECS NUMBER :

EN0330050

CHEMICAL NAME :

3-Buten-2-one, 4-phenyl-, (E)-

CAS REGISTRY NUMBER :

1896-62-4

BEILSTEIN REFERENCE NO. :

0742047

LAST UPDATED :

199712

DATA ITEMS CITED :

2

MOLECULAR FORMULA :

C10-H10-O

MOLECULAR WEIGHT :

146.20

WISWESSER LINE NOTATION :

1V1U1R

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

MUTATION DATA

TYPE OF TEST :

Mutation in microorganisms

TEST SYSTEM :

Bacteria - Salmonella typhimurium

DOSE/DURATION :

300 ug/plate

REFERENCE :

FCTOD7 Food and Chemical Toxicology. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.20- 1982- Volume(issue)/page/year: 20,427,1982

毒理学数据：

1、 致突变性

微生物鼠伤寒沙门氏菌突变：300μg/plate；

生态数据：

对环境有危害，对水体有污染，禁止进入水体。

MSDS

Name:	trans-4-Phenyl-3-buten-2-one p.a. Material Safety Data Sheet
Synonym:	trans-Benzalacetone; trans-Benzylideneacetone; 3-Buten-2-one, 4-phenyl-, (E)-; Methyl trans-styryl ketone; TPBO; trans-4-Phenylbut-3-en-2-on
CAS:	1896-62-4

Section 1 - Chemical Product   MSDS Name:trans-4-Phenyl-3-buten-2-one p.a. Material Safety Data Sheet
Synonym:trans-Benzalacetone; trans-Benzylideneacetone; 3-Buten-2-one, 4-phenyl-, (E)-; Methyl trans-styryl ketone; TPBO; trans-4-Phenylbut-3-en-2-on
Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
1896-62-4	trans-4-Phenyl-3-buten-2-one	>99.0	217-587-6

Hazard Symbols: XI
Risk Phrases: 36/37/38
Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Irritating to eyes, respiratory system and skin.Light sensitive.
Potential Health Effects
Eye:
Causes eye irritation. May cause chemical conjunctivitis.
Skin:
Causes skin irritation.
Ingestion:
May cause gastrointestinal irritation with nausea, vomiting and diarrhea.
Inhalation:
Causes respiratory tract irritation. Can produce delayed pulmonary edema.
Chronic:
Effects may be delayed.
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. Do NOT use mouth-to-mouth resuscitation.
Notes to Physician:
Treat symptomatically and supportively.
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.
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:
Absorb spill with inert material (e.g. vermiculite, sand or earth), then place in suitable container. Avoid generating dusty conditions.
Provide ventilation.
Section 7 - HANDLING and STORAGE
  Handling:
Remove contaminated clothing and wash before reuse. Avoid contact with eyes, skin, and clothing. Avoid ingestion and inhalation. Store protected from light. Use only in a chemical fume hood. Wash clothing before reuse.
Storage:
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. Store protected from light.
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# 1896-62-4: 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: Crystals
Color: yellowish
Odor: coumarin
pH: Not available.
Vapor Pressure: 0.009 mmHg @ 25
Viscosity: Not available.
Boiling Point: 260 - 262 deg C @ 7
Freezing/Melting Point: 39.8 deg C
Autoignition Temperature: Not applicable.
Flash Point: 122 deg C ( 251.60 deg F)
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature: Not available.
Solubility in water: Negligible.
Specific Gravity/Density: Not available.
Molecular Formula: C6H5CH=CHCOCH3
Molecular Weight: 146.19
Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable at room temperature in closed containers under normal storage and handling conditions. May discolor on exposure to light.
Conditions to Avoid:
Incompatible materials, light, dust generation, excess heat.
Incompatibilities with Other Materials:
Direct light, strong oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, irritating and toxic fumes and gases, carbon dioxide.
Hazardous Polymerization: Has not been reported.
Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 1896-62-4: EN0330050 LD50/LC50:
Not available.
Carcinogenicity:
trans-4-Phenyl-3-buten-2-one - Not listed by ACGIH, IARC, or NTP.
Other:
See actual entry in RTECS for complete information.
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: XI
Risk Phrases:
R 36/37/38 Irritating to eyes, respiratory system
and skin.
Safety Phrases:
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 37/39 Wear suitable gloves and eye/face
protection.
WGK (Water Danger/Protection)
CAS# 1896-62-4: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 1896-62-4 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 1896-62-4 is not listed on the TSCA inventory.
It is for research and development use only.

SECTION 16 - ADDITIONAL INFORMATION
N/A

海关数据

中国海关编码：2914399090

概述：

2914399090. 其他不含其他含氧基的芳香酮. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:5.5%. 普通关税:30.0%

申报要素：

品名, 成分含量, 用途, 丙酮报明包装

摘要/Summary：

2914399090. other aromatic ketones without other oxygen function. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:5.5%. General tariff:30.0%

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）：2.1

2、 氢键供体数量：0

3、 氢键受体数量：1

4、 可旋转化学键数量：2

5、 互变异构体数量：2

6、 拓扑分子极性表面积（TPSA）：17.1

7、 重原子数量：11

8、 表面电荷：0

9、 复杂度：152

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