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Details

Stereochemistry RACEMIC
Molecular Formula C9H12O
Molecular Weight 136.191
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-PHENYL-1-PROPANOL

SMILES

CC(CO)C1=CC=CC=C1

InChI

InChIKey=RNDNSYIPLPAXAZ-UHFFFAOYSA-N
InChI=1S/C9H12O/c1-8(7-10)9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3

HIDE SMILES / InChI
Molecular Formula C9H12O
Molecular Weight 136.191
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Description

2-Phenyl-1-propanol is a metabolite of isopropylbenzol. It is used as a tool substrate to study stereoselectivity of enzymatic reactions.

Approval Year

Unknown
139594
Conditions

Conditions

ConditionModalityTargetsHighest PhaseProduct
PubMed

PubMed

TitleDatePubMed
Infrared spectroscopy of neutral C7H7 isomers: benzyl and tropyl.
2003 Dec 24
Effect of immobilization support, water activity, and enzyme ionization state on cutinase activity and enantioselectivity in organic media.
2004 Feb 20
Water dependent properties of cutinase in nonaqueous solvents: a computational study of enantioselectivity.
2005 Aug
Patents

Patents

JP4813379B2
14

Sample Use Guides

In Vivo Use Guide
Unknown
Route of Administration: Unknown
In Vitro Use Guide
Unknown
Substance Class Chemical
Created
by admin
on Fri Dec 15 23:05:01 GMT 2023
Edited
by admin
on Fri Dec 15 23:05:01 GMT 2023
Record UNII
27ZYZ88DWU
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-PHENYL-1-PROPANOL
Systematic Name English
(±)-2-PHENYLPROPANOL
Systematic Name English
(±)-.BETA.-METHYLBENZENEETHANOL
Systematic Name English
2-PHENYLPROPANOL
Systematic Name English
2-PHENYLPROPAN-1-OL
Systematic Name English
(±)-2-PHENYL-1-PROPANOL
Systematic Name English
1-HYDROXY-2-PHENYLPROPANE
Systematic Name English
BENZENEETHANOL, .BETA.-METHYL-
Systematic Name English
.BETA.-METHYLPHENETHYL ALCOHOL [FHFI]
Common Name English
(RS)-2-PHENYL-1-PROPANOL
Systematic Name English
PHENETHYL ALCOHOL, .BETA.-METHYL-
Systematic Name English
1-PROPANOL, 2-PHENYL-
Systematic Name English
NSC-5232
Code English
FEMA NO. 2732
Code English
2-PHENYLPROPYL ALCOHOL
Systematic Name English
Code System Code Type Description
MESH
C439395
Created by admin on Fri Dec 15 23:05:02 GMT 2023 , Edited by admin on Fri Dec 15 23:05:02 GMT 2023
PRIMARY
JECFA MONOGRAPH
1447
Created by admin on Fri Dec 15 23:05:02 GMT 2023 , Edited by admin on Fri Dec 15 23:05:02 GMT 2023
PRIMARY
FDA UNII
27ZYZ88DWU
Created by admin on Fri Dec 15 23:05:02 GMT 2023 , Edited by admin on Fri Dec 15 23:05:02 GMT 2023
PRIMARY
PUBCHEM
14295
Created by admin on Fri Dec 15 23:05:02 GMT 2023 , Edited by admin on Fri Dec 15 23:05:02 GMT 2023
PRIMARY
EPA CompTox
DTXSID8037756
Created by admin on Fri Dec 15 23:05:02 GMT 2023 , Edited by admin on Fri Dec 15 23:05:02 GMT 2023
PRIMARY
ECHA (EC/EINECS)
214-379-7
Created by admin on Fri Dec 15 23:05:02 GMT 2023 , Edited by admin on Fri Dec 15 23:05:02 GMT 2023
PRIMARY
CAS
1123-85-9
Created by admin on Fri Dec 15 23:05:02 GMT 2023 , Edited by admin on Fri Dec 15 23:05:02 GMT 2023
PRIMARY
NSC
5232
Created by admin on Fri Dec 15 23:05:02 GMT 2023 , Edited by admin on Fri Dec 15 23:05:02 GMT 2023
PRIMARY
Related Record Type Details
Structure of 2-PHENYL-1-PROPANOL, (S)-
ENANTIOMER -> RACEMATE
Structure of 2-PHENYL-1-PROPANOL, (R)-
ENANTIOMER -> RACEMATE
NIH
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