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Details

Stereochemistry ACHIRAL
Molecular Formula C8H10O
Molecular Weight 122.1644
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-METHYLBENZYL ALCOHOL

SMILES

CC1=CC(CO)=CC=C1

InChI

InChIKey=JJCKHVUTVOPLBV-UHFFFAOYSA-N
InChI=1S/C8H10O/c1-7-3-2-4-8(5-7)6-9/h2-5,9H,6H2,1H3

HIDE SMILES / InChI

Molecular Formula C8H10O
Molecular Weight 122.1644
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Benzylalcohol dehydrogenase, a new alcohol dehydrogenase from Pseudomonas sp.
1967 May 16
Substrate specificity and structural characteristics of the novel Rieske nonheme iron aromatic ring-hydroxylating oxygenases NidAB and NidA3B3 from Mycobacterium vanbaalenii PYR-1.
2010 Jun 15
Patents
Substance Class Chemical
Created
by admin
on Sat Dec 16 01:52:47 UTC 2023
Edited
by admin
on Sat Dec 16 01:52:47 UTC 2023
Record UNII
TTG38P37U6
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-METHYLBENZYL ALCOHOL
Systematic Name English
M-METHYLBENZYL ALCOHOL
Systematic Name English
M-TOLYLMETHANOL
Systematic Name English
BENZYL ALCOHOL, M-METHYL-
Systematic Name English
MECLIZINE HYDROCHLORIDE IMPURITY, 3-METHYLBENZYL ALCOHOL- [USP IMPURITY]
Common Name English
BENZENEMETHANOL, 3-METHYL
Common Name English
(3-METHYLPHENYL)METHANOL
Systematic Name English
M-TOLUALCOHOL
Common Name English
NSC-9397
Code English
Code System Code Type Description
MESH
C042289
Created by admin on Sat Dec 16 01:52:48 UTC 2023 , Edited by admin on Sat Dec 16 01:52:48 UTC 2023
PRIMARY
CAS
587-03-1
Created by admin on Sat Dec 16 01:52:48 UTC 2023 , Edited by admin on Sat Dec 16 01:52:48 UTC 2023
PRIMARY
NSC
9397
Created by admin on Sat Dec 16 01:52:48 UTC 2023 , Edited by admin on Sat Dec 16 01:52:48 UTC 2023
PRIMARY
FDA UNII
TTG38P37U6
Created by admin on Sat Dec 16 01:52:48 UTC 2023 , Edited by admin on Sat Dec 16 01:52:48 UTC 2023
PRIMARY
PUBCHEM
11476
Created by admin on Sat Dec 16 01:52:48 UTC 2023 , Edited by admin on Sat Dec 16 01:52:48 UTC 2023
PRIMARY
ECHA (EC/EINECS)
209-595-3
Created by admin on Sat Dec 16 01:52:48 UTC 2023 , Edited by admin on Sat Dec 16 01:52:48 UTC 2023
PRIMARY
EPA CompTox
DTXSID4039497
Created by admin on Sat Dec 16 01:52:48 UTC 2023 , Edited by admin on Sat Dec 16 01:52:48 UTC 2023
PRIMARY
CHEBI
27995
Created by admin on Sat Dec 16 01:52:48 UTC 2023 , Edited by admin on Sat Dec 16 01:52:48 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP