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Sigma-Aldrich

(2,3-Epoxypropyl)benzene

98%

Synonym(s):

(Phenylmethyl)oxirane

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About This Item

Empirical Formula (Hill Notation):
C9H10O
CAS Number:
4436-24-2
Molecular Weight:
134.18
MDL number:
MFCD00074964
UNSPSC Code:
12162002
PubChem Substance ID:
24860022
NACRES:
NA.23

Quality Level

100

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

pictograms

Exclamation mark
GHS07

signalword

Warning

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

10 - Combustible liquids

wgk_germany

WGK 3

flash_point_f

179.6 °F - closed cup

flash_point_c

82 °C - closed cup

ppe

Eyeshields, Gloves, type ABEK (EN14387) respirator filter

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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