PHELLANDRAL

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National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	RACEMIC
Molecular Formula	C10H16O
Molecular Weight	152.2334
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of PHELLANDRAL

Structure Search

SMILES

CC(C)C1CCC(C=O)=CC1

InChI

InChIKey=AEVLWICMAHGAMS-UHFFFAOYSA-N

InChI=1S/C10H16O/c1-8(2)10-5-3-9(7-11)4-6-10/h3,7-8,10H,4-6H2,1-2H3

HIDE SMILES / InChI

Approval Year

Name

Type

Language

PHELLANDRAL

Common Name

English

1-CYCLOHEXENE-1-CARBOXALDEHYDE, 4-(1-METHYLETHYL)-

Systematic Name

English

P-MENTH-1-EN-7-AL

Systematic Name

English

4-(1-METHYLETHYL)-1-CYCLOHEXENE-1-CARBOXALDEHYDE

Systematic Name

English

4-PROPAN-2-YLCYCLOHEXENE-1-CARBOXALDEHYDE

Systematic Name

English

Code System Code Type Description

PUBCHEM

89488

Created by admin on Sat Dec 16 09:44:40 GMT 2023 , Edited by admin on Sat Dec 16 09:44:40 GMT 2023

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FDA UNII

O55U5SW7ZR

Created by admin on Sat Dec 16 09:44:40 GMT 2023 , Edited by admin on Sat Dec 16 09:44:40 GMT 2023

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ECHA (EC/EINECS)

244-355-1

Created by admin on Sat Dec 16 09:44:40 GMT 2023 , Edited by admin on Sat Dec 16 09:44:40 GMT 2023

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CAS

21391-98-0

Created by admin on Sat Dec 16 09:44:40 GMT 2023 , Edited by admin on Sat Dec 16 09:44:40 GMT 2023

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EPA CompTox

DTXSID50871323

Created by admin on Sat Dec 16 09:44:40 GMT 2023 , Edited by admin on Sat Dec 16 09:44:40 GMT 2023

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SUBSTANCE RECORD


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