BENZYLIDENEACETONE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C10H10O
Molecular Weight	146.1858
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

SMILES

CC(=O)\C=C\C1=CC=CC=C1

InChI

InChIKey=BWHOZHOGCMHOBV-BQYQJAHWSA-N

InChI=1S/C10H10O/c1-9(11)7-8-10-5-3-2-4-6-10/h2-8H,1H3/b8-7+

HIDE SMILES / InChI

Molecular Formula	C10H10O
Molecular Weight	146.1858
Charge	0
Count	MOL RATIO 1 MOL RATIO (average)

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	1
Optical Activity	NONE

Approval Year

PubMed

Show entries

Title	Date	PubMed
Antioxidative function and substrate specificity of NAD(P)H-dependent alkenal/one oxidoreductase. A new role for leukotriene B4 12-hydroxydehydrogenase/15-oxoprostaglandin 13-reductase.	2001 Nov 2	11524419

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Patents

Substance Class	Chemical
Record UNII	B03X40BMT5
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BENZYLIDENEACETONE

Systematic Name

English

CINNAMYL METHYL KETONE

Systematic Name

English

3-BUTEN-2-ONE, 4-PHENYL-, (E)-

Systematic Name

English

BENZYLIDENEACETONE [MI]

Common Name

English

METHYL STYRYL KETONE

Systematic Name

English

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Classification Tree

Code System

Code

FUNCTIONAL CLASSIFICATION

JECFA EVALUATION

4-PHENYL-3-BUTEN-2-ONE

Subpart F--Flavoring Agents and Related Substances

CFR

21 CFR 172.515

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Code System

Code

Type

Description

CHEBI

217301

PRIMARY

JECFA MONOGRAPH

805

PRIMARY

ECHA (EC/EINECS)

217-587-6

PRIMARY

CAS

1896-62-4

PRIMARY

MERCK INDEX

m2410

PRIMARY

Merck Index

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Related Record

Type

Details


					6153CWM0CL

WARFARIN SODIUM

PARENT -> IMPURITY

Interaction Type:

CHROMATOGRAPHIC PURITY (HPLC/UV)

Qualification:

USP

Amount:

[<0.3] PERCENT PEAK AREA (limits)


					6153CWM0CL

WARFARIN SODIUM

PARENT -> IMPURITY

Comments:

correction factors: for the calculation of content, multiply the peak areas of the following impurities by the corresponding correction factor: impurity C = 0.4

Interaction Type:

CHROMATOGRAPHIC PURITY (HPLC/UV)

Qualification:

EP

Amount:

[<0.15] PERCENT PEAK AREA (limits)

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