BUTYLPHENYL METHYLPROPIONAL

Details

Stereochemistry	RACEMIC
Molecular Formula	C14H20O
Molecular Weight	204.308
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of BUTYLPHENYL METHYLPROPIONAL

Structure Search

SMILES

CC(CC1=CC=C(C=C1)C(C)(C)C)C=O

InChI

InChIKey=SDQFDHOLCGWZPU-UHFFFAOYSA-N

InChI=1S/C14H20O/c1-11(10-15)9-12-5-7-13(8-6-12)14(2,3)4/h5-8,10-11H,9H2,1-4H3

HIDE SMILES / InChI

Molecular Formula	C14H20O
Molecular Weight	204.308
Charge	0
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	0
Optical Activity	( + / - )

Approval Year

PubMed

Title	Date	PubMed
Oestrogenic activity of benzyl salicylate, benzyl benzoate and butylphenylmethylpropional (Lilial) in MCF7 human breast cancer cells in vitro.	2009 Jul	19338011
Sorbent trapping solid-phase microextraction of fragrance allergens in indoor air.	2010 Aug 13	20619415
Determination of suspected allergens in cosmetic products by headspace-programmed temperature vaporization-fast gas chromatography-quadrupole mass spectrometry.	2010 Jul	20495907
Chemoreception regulates chemical access to mouse vomeronasal organ: role of solitary chemosensory cells.	2010 Jul 30	20689832
Bioreduction of alpha-methylcinnamaldehyde derivatives: chemo-enzymatic asymmetric synthesis of Lilial and Helional.	2010 Sep 28	20461254

Patents

Substance Class	Chemical Created by `admin` on `Fri Dec 15 16:58:44 UTC 2023` Edited by `admin` on `Fri Dec 15 16:58:44 UTC 2023`
Record UNII	T7540GJV69
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BUTYLPHENYL METHYLPROPIONAL

Official Name

English

LILESTRAL

Common Name

English

.BETA.-LILIAL

Brand Name

English

2-(4-TERT-BUTYLBENZYL)PROPIONALDEHYDE

Systematic Name

English

PT-BUCINAL

Common Name

English

3-(4-TERT-BUTYLPHENYL)-2-METHYLPROPANAL

Systematic Name

English

LILIAL

Brand Name

English

LILESTRALIS

Common Name

English

BUTYLPHENYL METHYLPROPIONAL [INCI]

Common Name

English

P-T-BUTYL-ALPHA-METHYLHYDROCINNAMIC ALDEHYDE

Common Name

English

(±)-2-METHYL-3-(4-TERT-BUTYLPHENYL)PROPANAL

Systematic Name

English

NSC-22275

Code

English

LILY ALDEHYDE

Common Name

English

.ALPHA.-METHYL-P-TERT-BUTYLHYDROCINNAMALDEHYDE

Common Name

English

(±)-BUTYLPHENYL METHYLPROPIONAL

Common Name

English

LYSMERAL

Common Name

English

BENZENEPROPANAL, 4-(1,1-DIMETHYLETHYL)-.ALPHA.-METHYL-

Systematic Name

English

P-TERT-BUTYL-.ALPHA.-METHYLHYDROCINNAMIC ALDEHYDE

Common Name

English

2(4-TERT-BUTYLBENZYL) PROPIONALDEHYDE

Systematic Name

English

Classification Tree Code System Code

EC SCIENTIFIC COMMITTEE ON CONSUMER SAFETY OPINION

SCCS/1459/11