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34627-78-6

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Basic Information
CAS No.: 34627-78-6
Name: 1'-Acetoxysafrole
Molecular Structure:
Molecular Structure of 34627-78-6 (1'-Acetoxysafrole)
Formula: C12H12 O4
Molecular Weight: 220.24
Synonyms: 1,3-Benzodioxole-5-methanol,a-ethenyl-, acetate (9CI);1'-Acetoxysafrole
Density: 1.208g/cm3
Boiling Point: 309.8°Cat760mmHg
Flash Point: 134.8°C
Safety: Questionable carcinogen with experimental carcinogenic and neoplastigenic data. Human mutation data reported. When heated to decomposition it emits acrid smoke and fumes.
PSA: 44.76000
LogP: 2.20550
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Chemistry

Molecular structure of 1'-Acetoxysafrole (CAS NO.34627-78-6) is:

Product Name: 1'-Acetoxysafrole
CAS Registry Number: 34627-78-6
IUPAC Name: 1-(1,3-benzodioxol-5-yl)prop-2-enyl acetate
Molecular Weight: 220.22128 [g/mol]
Molecular Formula: C12H12O4
XLogP3: 2.5
H-Bond Donor: 0
H-Bond Acceptor: 4
Surface Tension: 44.5 dyne/cm
Density: 1.208 g/cm3
Flash Point: 134.8 °C
Enthalpy of Vaporization: 55.06 kJ/mol
Boiling Point: 309.8 °C at 760 mmHg
Vapour Pressure: 0.000626 mmHg at 25°C 
Classification Code: Mutation data ;Tumor data

Toxicity Data With Reference

1.    

mmo-sat 25 µg/plate

     JJIND8    JNCI, Journal of the National Cancer Institute. 62 (1979),893.
2.    

dnr-esc 25 mg/L

     JJIND8    JNCI, Journal of the National Cancer Institute. 62 (1979),873.
3.    

dnd-hmn:oth 500 µmol/L

     CRNGDP    Carcinogenesis. 3 (1982),935.

Consensus Reports

EPA Genetic Toxicology Program.

Safety Profile

Questionable carcinogen with experimental carcinogenic and neoplastigenic data. Human mutation data reported. When heated to decomposition it emits acrid smoke and fumes.

Specification

 1'-Acetoxysafrole , its cas register number is 34627-78-6. It also can be called 5-(1-Acetyloxy-2-propenyl)-1,3-benzodioxole ; BRN 4806543 ; 1,3-Benzodioxole-5-methanol, alpha-ethenyl-, acetate .