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

Structure Search

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

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

Approval Year

PubMed

Title	Date	PubMed
Antigenic competition in the induction of contact sensitivity in the guinea pig.	1985	3918942
Hepatic glutathione S-transferases in mice fed on a diet containing the anticarcinogenic antioxidant butylated hydroxyanisole. Isolation of mouse glutathione S-transferase heterodimers by gradient elution of the glutathione-Sepharose affinity matrix.	1991 Jul 15	1859377
Parallel induction of heme oxygenase-1 and chemoprotective phase 2 enzymes by electrophiles and antioxidants: regulation by upstream antioxidant-responsive elements (ARE).	1995 Nov	8612205
Electrophile and antioxidant regulation of enzymes that detoxify carcinogens.	1995 Sep 12	7568053
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
Metabolism of the alpha,beta-unsaturated ketones, chalcone and trans-4-phenyl-3-buten-2-one, by rat liver microsomes and estrogenic activity of the metabolites.	2005 Aug	15863696
The enzymatic asymmetric conjugate umpolung reaction.	2010 Sep 3	20669204
Relating skin sensitizing potency to chemical reactivity: reactive Michael acceptors inhibit NF-κB signaling and are less sensitizing than S(N)Ar- and S(N)2- reactive chemicals.	2011 Nov 21	22023385

Patents

Substance Class	Chemical Created by `admin` on `Fri Dec 15 18:11:48 GMT 2023` Edited by `admin` on `Fri Dec 15 18:11:48 GMT 2023`
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

ACETOCINNAMONE

Common Name

English

4-PHENYL-3-BUTEN-2-ONE, TRANS

Common Name

English

BENZYLIDENEACETONE, (E)-

Systematic Name

English

4-PHENYL-3-BUTEN-2-ONE [FHFI]

Common Name

English

TRANS-BENZYLIDENEACETONE

Systematic Name

English

BENZALACETONE [USP IMPURITY]

Common Name

English

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

Systematic Name

English

(3E)-4-PHENYLBUT-3-EN-2-ONE (BENZALACETONE)

Common Name

English

BENZALACETONE

Systematic Name

English

FEMA NO. 2881

Code

English

STYRYL METHYL KETONE

Systematic Name

English

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

Systematic Name

English

4-PHENYL-3-BUTEN-2-ONE

Systematic Name

English

WARFARIN SODIUM IMPURITY C [EP IMPURITY]

Common Name

English

NSC-5605

Code

English

METHYL TRANS-STYRYL KETONE

Systematic Name

English

Classification Tree Code System Code

JECFA EVALUATION

4-PHENYL-3-BUTEN-2-ONE