3-BENZYL-3-PENTANOL

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C12H18O
Molecular Weight	178.2707
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3-BENZYL-3-PENTANOL

Structure Search

SMILES

CCC(O)(CC)CC1=CC=CC=C1

InChI

InChIKey=VXSLZYONEMVQRB-UHFFFAOYSA-N

InChI=1S/C12H18O/c1-3-12(13,4-2)10-11-8-6-5-7-9-11/h5-9,13H,3-4,10H2,1-2H3

HIDE SMILES / InChI

Molecular Formula	C12H18O
Molecular Weight	178.2707
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 12:40:41 GMT 2023` Edited by `admin` on `Sat Dec 16 12:40:41 GMT 2023`
Record UNII	327U45PG6Q
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3-BENZYL-3-PENTANOL

Systematic Name

English

BENZENEETHANOL, .ALPHA.,.ALPHA.-DIETHYL-

Systematic Name

English

ALPHA,ALPHA-DIETHYLPHENETHYL ALCOHOL

Systematic Name

English

.ALPHA.,.ALPHA.-DIETHYLBENZENEETHANOL

Systematic Name

English

3-BENZYLPENTAN-3-OL

Systematic Name

English

Code System Code Type Description

CAS

34577-40-7

Created by admin on Sat Dec 16 12:40:41 GMT 2023 , Edited by admin on Sat Dec 16 12:40:41 GMT 2023

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EPA CompTox

DTXSID9067857

Created by admin on Sat Dec 16 12:40:41 GMT 2023 , Edited by admin on Sat Dec 16 12:40:41 GMT 2023

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FDA UNII

327U45PG6Q

Created by admin on Sat Dec 16 12:40:41 GMT 2023 , Edited by admin on Sat Dec 16 12:40:41 GMT 2023

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PUBCHEM

118704

Created by admin on Sat Dec 16 12:40:41 GMT 2023 , Edited by admin on Sat Dec 16 12:40:41 GMT 2023

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ECHA (EC/EINECS)

252-098-1

Created by admin on Sat Dec 16 12:40:41 GMT 2023 , Edited by admin on Sat Dec 16 12:40:41 GMT 2023

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