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