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Details

Stereochemistry ACHIRAL
Molecular Formula C10H14O
Molecular Weight 150.2176
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Thymol

SMILES

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

InChI

InChIKey=MGSRCZKZVOBKFT-UHFFFAOYSA-N
InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)6-10(9)11/h4-7,11H,1-3H3

HIDE SMILES / InChI
Molecular Formula C10H14O
Molecular Weight 150.2176
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Unknown
86413
Substance Class Chemical
Created
by admin
on Fri Dec 15 16:13:40 UTC 2023
Edited
by admin
on Fri Dec 15 16:13:40 UTC 2023
Record UNII
3J50XA376E
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Thymol
EP   FCC   FHFI   HSDB   II   INCI   MART.   MI   USP-RS   VANDF   WHO-DD  
INCI  
Official Name English
APIGUARD
Common Name English
2-HYDROXY-1-ISOPROPYL-4-METHYLBENZENE
Systematic Name English
THYMOL [MART.]
Common Name English
THYMOLUM
HPUS  
Common Name English
THYMOL [FCC]
Common Name English
THYMOL [EP MONOGRAPH]
Common Name English
NSC-47821
Code English
PHENOL, 5-METHYL-2-(1-METHYLETHYL)-
Systematic Name English
THYMOL [HSDB]
Common Name English
THYMOL [VANDF]
Common Name English
THYMOL [FHFI]
Common Name English
THYMOL [MI]
Common Name English
THYMOL [JAN]
Common Name English
THYMOL [USP-RS]
Common Name English
THYMOL [INCI]
Common Name English
THYMOL [II]
Common Name English
6-ISOPROPYL-M-CRESOL
Systematic Name English
1-METHYL-3-HYDROXY-4-ISOPROPYLBENZENE
Systematic Name English
3-HYDROXY-P-CYMENE
Common Name English
THYMOLUM [HPUS]
Common Name English
NSC-11215
Code English
Thymol [WHO-DD]
Common Name English
P-CYMEN-3-OL
Common Name English
THYME CAMPHOR
Common Name English
NSC-49142
Code English
FEMA NO. 3066
Code English
Classification Tree Code System Code
CFR 21 CFR 310.544
Created by admin on Fri Dec 15 16:13:40 UTC 2023 , Edited by admin on Fri Dec 15 16:13:40 UTC 2023
NCI_THESAURUS C28394
Created by admin on Fri Dec 15 16:13:41 UTC 2023 , Edited by admin on Fri Dec 15 16:13:41 UTC 2023
DSLD 3396 (Number of products:5)
Created by admin on Fri Dec 15 16:13:40 UTC 2023 , Edited by admin on Fri Dec 15 16:13:40 UTC 2023
JECFA EVALUATION THYMOL
Created by admin on Fri Dec 15 16:13:40 UTC 2023 , Edited by admin on Fri Dec 15 16:13:40 UTC 2023
CFR 21 CFR 310.531
Created by admin on Fri Dec 15 16:13:40 UTC 2023 , Edited by admin on Fri Dec 15 16:13:40 UTC 2023
CFR 21 CFR 172.515
Created by admin on Fri Dec 15 16:13:40 UTC 2023 , Edited by admin on Fri Dec 15 16:13:40 UTC 2023
WHO-VATC QP53AX22
Created by admin on Fri Dec 15 16:13:41 UTC 2023 , Edited by admin on Fri Dec 15 16:13:41 UTC 2023
EPA PESTICIDE CODE 80402
Created by admin on Fri Dec 15 16:13:40 UTC 2023 , Edited by admin on Fri Dec 15 16:13:40 UTC 2023
Code System Code Type Description
NCI_THESAURUS
C77062
Created by admin on Fri Dec 15 16:13:41 UTC 2023 , Edited by admin on Fri Dec 15 16:13:41 UTC 2023
PRIMARY
FDA UNII
3J50XA376E
Created by admin on Fri Dec 15 16:13:40 UTC 2023 , Edited by admin on Fri Dec 15 16:13:40 UTC 2023
PRIMARY
CHEBI
27607
Created by admin on Fri Dec 15 16:13:40 UTC 2023 , Edited by admin on Fri Dec 15 16:13:40 UTC 2023
PRIMARY
NSC
11215
Created by admin on Fri Dec 15 16:13:41 UTC 2023 , Edited by admin on Fri Dec 15 16:13:41 UTC 2023
PRIMARY
WIKIPEDIA
THYMOL
Created by admin on Fri Dec 15 16:13:41 UTC 2023 , Edited by admin on Fri Dec 15 16:13:41 UTC 2023
PRIMARY
CAS
89-83-8
Created by admin on Fri Dec 15 16:13:40 UTC 2023 , Edited by admin on Fri Dec 15 16:13:40 UTC 2023
PRIMARY
MERCK INDEX
m10824
Created by admin on Fri Dec 15 16:13:40 UTC 2023 , Edited by admin on Fri Dec 15 16:13:40 UTC 2023
PRIMARY Merck Index
DRUG BANK
DB02513
Created by admin on Fri Dec 15 16:13:40 UTC 2023 , Edited by admin on Fri Dec 15 16:13:40 UTC 2023
PRIMARY
NSC
47821
Created by admin on Fri Dec 15 16:13:41 UTC 2023 , Edited by admin on Fri Dec 15 16:13:41 UTC 2023
PRIMARY
EVMPD
SUB15555MIG
Created by admin on Fri Dec 15 16:13:40 UTC 2023 , Edited by admin on Fri Dec 15 16:13:40 UTC 2023
PRIMARY
SMS_ID
100000091776
Created by admin on Fri Dec 15 16:13:41 UTC 2023 , Edited by admin on Fri Dec 15 16:13:41 UTC 2023
PRIMARY
DAILYMED
3J50XA376E
Created by admin on Fri Dec 15 16:13:40 UTC 2023 , Edited by admin on Fri Dec 15 16:13:40 UTC 2023
PRIMARY
HSDB
866
Created by admin on Fri Dec 15 16:13:40 UTC 2023 , Edited by admin on Fri Dec 15 16:13:40 UTC 2023
PRIMARY
DRUG CENTRAL
4258
Created by admin on Fri Dec 15 16:13:40 UTC 2023 , Edited by admin on Fri Dec 15 16:13:40 UTC 2023
PRIMARY
MESH
D013943
Created by admin on Fri Dec 15 16:13:40 UTC 2023 , Edited by admin on Fri Dec 15 16:13:40 UTC 2023
PRIMARY
RS_ITEM_NUM
1667213
Created by admin on Fri Dec 15 16:13:41 UTC 2023 , Edited by admin on Fri Dec 15 16:13:41 UTC 2023
PRIMARY
JECFA MONOGRAPH
588
Created by admin on Fri Dec 15 16:13:40 UTC 2023 , Edited by admin on Fri Dec 15 16:13:40 UTC 2023
PRIMARY
ECHA (EC/EINECS)
201-944-8
Created by admin on Fri Dec 15 16:13:40 UTC 2023 , Edited by admin on Fri Dec 15 16:13:40 UTC 2023
PRIMARY
EPA CompTox
DTXSID6034972
Created by admin on Fri Dec 15 16:13:40 UTC 2023 , Edited by admin on Fri Dec 15 16:13:40 UTC 2023
PRIMARY
RXCUI
10553
Created by admin on Fri Dec 15 16:13:41 UTC 2023 , Edited by admin on Fri Dec 15 16:13:41 UTC 2023
PRIMARY RxNorm
ChEMBL
CHEMBL29411
Created by admin on Fri Dec 15 16:13:40 UTC 2023 , Edited by admin on Fri Dec 15 16:13:40 UTC 2023
PRIMARY
NSC
49142
Created by admin on Fri Dec 15 16:13:41 UTC 2023 , Edited by admin on Fri Dec 15 16:13:41 UTC 2023
PRIMARY
PUBCHEM
6989
Created by admin on Fri Dec 15 16:13:41 UTC 2023 , Edited by admin on Fri Dec 15 16:13:41 UTC 2023
PRIMARY
Related Record Type Details
ELYMUS REPENS ROOT
PARENT -> CONSTITUENT ALWAYS PRESENT
Compound measured as 4.30% of the composition of the steam distillate of Elymus repens rhizome as per R Boesel in Planta Medica iss:4 pg:399-400, 1989.
PAEONIA LACTIFLORA ROOT
PARENT -> CONSTITUENT ALWAYS PRESENT
Pure compound identified in the Paeonia lactiflora (Paeoniaceae) root steam distillate with growth-inhibiting activity against nine harmful intestinal bacteria and eight lactic acid-producing bacteria.
Related Record Type Details
Structure of Thymol
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