332070
(2,3-Epoxypropyl)benzene
98%
Synonym(s):
(Phenylmethyl)oxirane
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About This Item
Empirical Formula (Hill Notation):
C9H10O
CAS Number:
Molecular Weight:
134.18
MDL number:
UNSPSC Code:
12162002
PubChem Substance ID:
NACRES:
NA.23
Quality Level
Assay
98%
form
liquid
refractive index
n20/D 1.523 (lit.)
bp
98-100 °C/17 mmHg (lit.)
density
1.02 g/mL at 25 °C (lit.)
SMILES string
C1OC1Cc2ccccc2
InChI
1S/C9H10O/c1-2-4-8(5-3-1)6-9-7-10-9/h1-5,9H,6-7H2
InChI key
JFDMLXYWGLECEY-UHFFFAOYSA-N
Related Categories
Signal Word
Warning
Hazard Statements
Precautionary Statements
Hazard Classifications
Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
Target Organs
Respiratory system
WGK
WGK 3
Flash Point(F)
179.6 °F
Flash Point(C)
82 °C
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
Certificates of Analysis (COA)
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G Luo et al.
Drug metabolism and disposition: the biological fate of chemicals, 24(9), 1020-1027 (1996-09-01)
Epoxidation at the allylic side chain is a major metabolic pathway for allylbenzene and its naturally occurring analogs safrole, estragole, and eugenol. We demonstrate herein that the epoxide metabolites of allylbenzene, estragole, and safrole can form covalent adducts with DNA
T M Guenthner et al.
Toxicology, 160(1-3), 47-58 (2001-03-14)
The genotoxic potential of naturally occurring allylbenzene analogs, including safrole, eugenol, estragole, and others, has been examined in many studies over the past 30 years. It has been established that these compounds are subject to biotransformation in the liver, which
G Luo et al.
Drug metabolism and disposition: the biological fate of chemicals, 22(5), 731-737 (1994-09-01)
The enzymatic detoxication in vitro of the 2',3'-epoxide derivatives of allylbenzene and estragole was examined, and the relative rates of enzymatic glutathione conjugation and epoxide hydrolysis were compared with those for styrene 1',2'-oxide. HPLC was used to determine the amounts
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