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768-03-6

768-03-6 structure
768-03-6 structure
  • Name: Acrylophenone
  • Chemical Name: 1-phenylprop-2-en-1-one
  • CAS Number: 768-03-6
  • Molecular Formula: C9H8O
  • Molecular Weight: 132.159
  • Create Date: 2018-09-12 20:35:35
  • Modify Date: 2024-01-02 17:06:22
  • 3-Oxo-3-phenylpropene is an active-site directed irreversible hydroxynitrile lyase inhibitor. Lyase is an FAD-protein. The substrate and competitors (e.g. benzoate) decrease the rate of the inhibitor-mediated deactivation of the enzyme.

Name 1-phenylprop-2-en-1-one
Synonyms 1-Phenyl-2-propen-1-one
1-Phenylprop-2-en-1-one
3-oxo-3-phenyl-1-propene
Ethylene,benzoyl
3-phenyl-3-propenal
Acrylophenone
phenyl vinyl ketone
vinyl acetophenone
Acetophenone,2-methylene
2-Propen-1-one, 1-phenyl-
3-oxo-3-phenylpropene
Phenylvinylketone
2-Propenophenone
Ketone, phenyl vinyl
2-Propen-1-one,1-phenyl
Acrylophenone (8CI)
vinylphenylketone
EINECS 212-190-4
Density 1.0±0.1 g/cm3
Boiling Point 202.6±13.0 °C at 760 mmHg
Molecular Formula C9H8O
Molecular Weight 132.159
Flash Point 73.7±14.8 °C
Exact Mass 132.057510
PSA 17.07000
LogP 1.88
Vapour Pressure 0.3±0.4 mmHg at 25°C
Index of Refraction 1.525
Material Safety Data Sheet

Section1. Identification of the substance
Product Name: Acrylophenone
Synonyms:1-phenylprop-2-en-1-one

Section2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.

Section3. Composition/information on ingredients.
Ingredient name:Acrylophenone
CAS number:768-03-6

Section4. First aid measures
Skin contact:Immediately wash skin with copious amounts of water for at least 15 minutes while removing
contaminated clothing and shoes. If irritation persists, seek medical attention.
Eye contact:Immediately wash skin with copious amounts of water for at least 15 minutes. Assure adequate
flushing of the eyes by separating the eyelids with fingers. If irritation persists, seek medical
attention.
Inhalation:Remove to fresh air. In severe cases or if symptoms persist, seek medical attention.
Ingestion:Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention.

Section5. Fire fighting measures
In the event of a fire involving this material, alone or in combination with other materials, use dry
powder or carbon dioxide extinguishers. Protective clothing and self-contained breathing apparatus
should be worn.

Section6. Accidental release measures
Personal precautions: Wear suitable personal protective equipment which performs satisfactorily and meets local/state/national
standards.
Respiratory precaution:Wear approved mask/respirator
Hand precaution:Wear suitable gloves/gauntlets
Skin protection:Wear suitable protective clothing
Eye protection:Wear suitable eye protection
Methods for cleaning up: Mix with sand or similar inert absorbent material, sweep up and keep in a tightly closed container
for disposal. See section 12.
Environmental precautions: Do not allow material to enter drains or water courses.

Section7. Handling and storage
Handling:This product should be handled only by, or under the close supervision of, those properly qualified
in the handling and use of potentially hazardous chemicals, who should take into account the fire,
health and chemical hazard data given on this sheet.
Storage:Store in closed vessels, under −20◦C.

Section8. Exposure Controls / Personal protection
Engineering Controls: Use only in a chemical fume hood.
Personal protective equipment: Wear laboratory clothing, chemical-resistant gloves and safety goggles.
General hydiene measures: Wash thoroughly after handling. Wash contaminated clothing before reuse.

Section9. Physical and chemical properties
Appearance:Not specified
Boiling point:No data
Melting point:No data
Flash point:No data
Density:No data
Molecular formula: C9H8O
Molecular weight: 132.2

Section10. Stability and reactivity
Conditions to avoid: Heat, flames and sparks.
Materials to avoid: Oxidizing agents.
Possible hazardous combustion products: Carbon monoxide.

Section11. Toxicological information
No data.

Section12. Ecological information
No data.

Section13. Disposal consideration
Arrange disposal as special waste, by licensed disposal company, in consultation with local waste
disposal authority, in accordance with national and regional regulations.

Section14. Transportation information
Non-harzardous for air and ground transportation.

Section15. Regulatory information
No chemicals in this material are subject to the reporting requirements of SARA Title III, Section
302, or have known CAS numbers that exceed the threshold reporting levels established by SARA
Title III, Section 313.


SECTION 16 - ADDITIONAL INFORMATION
N/A

CHEMICAL IDENTIFICATION

RTECS NUMBER :
OB6410000
CHEMICAL NAME :
Ketone, phenyl vinyl
CAS REGISTRY NUMBER :
768-03-6
BEILSTEIN REFERENCE NO. :
0635987
LAST UPDATED :
199612
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C9-H8-O
MOLECULAR WEIGHT :
132.17
WISWESSER LINE NOTATION :
1U1VR

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
26 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JPCEAO Journal fuer Praktische Chemie. (Johann Ambrosius Barth Verlag, Postfach 109, Leipzig DDR-7010, Ger. Dem. Rep.) V.1- 1834- Volume(issue)/page/year: 325,55,1983 ** TUMORIGENIC DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
2520 mg/kg/63W-I
TOXIC EFFECTS :
Tumorigenic - equivocal tumorigenic agent by RTECS criteria Tumorigenic - tumors at site of application
REFERENCE :
BJCAAI British Journal of Cancer. (Macmillan Press Ltd., Houndmills, Basingstoke, Hants. RG21 2XS, UK) V.1- 1947- Volume(issue)/page/year: 19,392,1965
HS Code 2914399090
HS Code 2914399090
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%