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trans-Isoeugenol acetate

trans-Isoeugenol acetate structure

CAS No:
5912-87-8
Formula:
C12H14O3
Chemical Name:
trans-Isoeugenol acetate
Synonyms:
Phenol,2-methoxy-4-(1E)-1-propen-1-yl-,1-acetate;Phenol,2-methoxy-4-propenyl-,acetate,(E)-;Phenol,2-methoxy-4-(1-propenyl)-,acetate,(E)-;Phenol,2-methoxy-4-(1E)-1-propenyl-,acetate;trans-Isoeugenol acetate;(E)-Isoeugenyl acetate;(E)-4-(1-Propen-1-yl)-2-methoxyphenyl acetate

Description

ChEBI: A phenylpropanoid that is the acetate ester of trans-isoeugenol.

White crystals; spicy, clove-like aroma

Isoeugenol acetate is a phenylpropanoid that is the acetate ester of trans-isoeugenol. It is a phenylpropanoid, a monomethoxybenzene and a member of phenyl acetates. It derives from a trans-isoeugenol.

trans-Isoeugenol acetate Basic Attributes

Molecular Weight：

206.241

Exact Mass：

206.24

EC Number：

202-236-1

UNII：

7XK69TOK59

NSC Number：

46121

DSSTox ID：

DTXSID0052625

Characteristics

PSA：

35.5

XLogP3：

2.4

Appearance：

White crystals; spicy, clove-like aroma

Density：

1.0251

Melting Point：

80.5°C

Water Solubility：

Insoluble in water, soluble in oil

Safety Information

Precautionary statement(s)：

P261, P264, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P333+P313, P337+P313, P362, P363, P403+P233, P405, P501

Hazard Statements：

H315

GHS Classification：

Not Classified| |Warning|H302+H312+H332 (30.77%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]|P261, P264, P270, P271, P272, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P333+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 21 companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

2-methoxy-4-prop-1-enylphenyl acetate

trans-Isoeugenol acetate Use and Manufacturing

Production

< 25,000 lb

Manufacturing Info：

Phenol, 2-methoxy-4-(1-propen-1-yl)-, 1-acetate: ACTIVE

Use Classification：

Food additives -> Flavoring Agents|Flavoring Agents -> JECFA Flavorings Index

Food Additive Classes：

Flavoring Agents

Computed Properties

Molecular Weight:206.24
XLogP3:2.4
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:206.094294304
Monoisotopic Mass:206.094294304
Topological Polar Surface Area:35.5
Heavy Atom Count:15
Complexity:235
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of trans-Isoeugenol acetate

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Use and Manufacturing
Computed Properties
Learn More Other Chemicals

trans-Isoeugenol acetate

SDS

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