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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 O-CYMEN-5-OL

SMILES

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

InChI

InChIKey=IJALWSVNUBBQRA-UHFFFAOYSA-N
InChI=1S/C10H14O/c1-7(2)10-5-4-9(11)6-8(10)3/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

O-Cymen-5-OL is an antifungal preservative used in cosmetics and beauty products to prevent harmful bacteria from developing and to prolong the shelf-life of formulas. It is part of the Isopropyl Cresols family and is originally developed synthetically in the form of a crystal. O-Cymen-5-OL is also used as a cosmetic biocide, or ingredient that helps to cleanse the skin or to prevent odor by destroying or inhibiting the growth of microorganisms, according to research. O-Cymen-5-OL is approved by the FDA for use as a direct and indirect food additive and has been approved by the CIR for use in cosmetics up to .5% concentration. However, in the European Union, it is only approved for use up to .1%. Studies in Japan, some dating back to 1956, found O-Cymen-5-OL to be neurotoxic in animals and have led to heavier restrictions on its use in cosmetics there. O-Cymen-5-OL (Dekasol BL) is used in oral care, to fight periodontal disease.

Approval Year

PubMed

PubMed

TitleDatePubMed
Final report on the safety assessment of sodium p-chloro-m-cresol, p-chloro-m-cresol, chlorothymol, mixed cresols, m-cresol, o-cresol, p-cresol, isopropyl cresols, thymol, o-cymen-5-ol, and carvacrol.
2006
Prediction of estrogen receptor agonists and characterization of associated molecular descriptors by statistical learning methods.
2006 Nov
Patents

Sample Use Guides

O-Cymen-5-OL has been approved by the CIR for use in cosmetics up to .5% concentration.
Route of Administration: Topical
In Vitro Use Guide
Curator's Comment: o-Cymen-5-ol minimum inhibitory concentration (MIC) and minimum bactericidal concentration (MBC) were determined against Streptococcus mutans, Actinomyces viscosus, Porphyromonas gingivalis, Fusobacterium nucleatum and Candida albicans.
o-Cymen-5-ol MIC was between 1.7 mM to 3.4 mM; MBC was 3.4 mM to 6.7 mM.
Substance Class Chemical
Created
by admin
on Fri Dec 15 15:46:41 UTC 2023
Edited
by admin
on Fri Dec 15 15:46:41 UTC 2023
Record UNII
H41B6Q1I9L
Record Status Validated (UNII)
Record Version
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Name Type Language
O-CYMEN-5-OL
INCI  
INCI  
Official Name English
PHENOL, 3-METHYL-4-(1-METHYLETHYL)-
Systematic Name English
ISOPROPYLMETHYLPHENOL
Systematic Name English
O-CYMEN-5-OL [INCI]
Common Name English
4-I-PROPYL-3-METHYLPHENOL
Common Name English
2-CYMEN-5-OL
Systematic Name English
4-ISOPROPYL-3-METHYLPHENOL
Systematic Name English
3-METHYL-4-(PROPAN-2-YL)PHENOL
Systematic Name English
P-THYMOL
Common Name English
4-ISOPROPYL-M-CRESOL
Systematic Name English
DEKACYMEN
Common Name English
3-METHYL-4-(1-METHYLETHYL)PHENOL
Systematic Name English
3-METHYL-4-(PROPAN-2-YL)BENZOLOL
Common Name English
4-ISOPROPYL-3-METHYL-PHENOL
Systematic Name English
O-Cymen-5y-ol [WHO-DD]
Common Name English
CYMEN-5-OL, O-
Common Name English
NSC-62111
Code English
Code System Code Type Description
ECHA (EC/EINECS)
221-761-7
Created by admin on Fri Dec 15 15:46:41 UTC 2023 , Edited by admin on Fri Dec 15 15:46:41 UTC 2023
PRIMARY
EPA CompTox
DTXSID10186026
Created by admin on Fri Dec 15 15:46:41 UTC 2023 , Edited by admin on Fri Dec 15 15:46:41 UTC 2023
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DAILYMED
H41B6Q1I9L
Created by admin on Fri Dec 15 15:46:41 UTC 2023 , Edited by admin on Fri Dec 15 15:46:41 UTC 2023
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SMS_ID
100000132789
Created by admin on Fri Dec 15 15:46:41 UTC 2023 , Edited by admin on Fri Dec 15 15:46:41 UTC 2023
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EVMPD
SUB48260
Created by admin on Fri Dec 15 15:46:41 UTC 2023 , Edited by admin on Fri Dec 15 15:46:41 UTC 2023
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MESH
C512394
Created by admin on Fri Dec 15 15:46:41 UTC 2023 , Edited by admin on Fri Dec 15 15:46:41 UTC 2023
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FDA UNII
H41B6Q1I9L
Created by admin on Fri Dec 15 15:46:41 UTC 2023 , Edited by admin on Fri Dec 15 15:46:41 UTC 2023
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NSC
62111
Created by admin on Fri Dec 15 15:46:41 UTC 2023 , Edited by admin on Fri Dec 15 15:46:41 UTC 2023
PRIMARY
CAS
3228-02-2
Created by admin on Fri Dec 15 15:46:41 UTC 2023 , Edited by admin on Fri Dec 15 15:46:41 UTC 2023
PRIMARY
PUBCHEM
18597
Created by admin on Fri Dec 15 15:46:41 UTC 2023 , Edited by admin on Fri Dec 15 15:46:41 UTC 2023
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RXCUI
1364387
Created by admin on Fri Dec 15 15:46:41 UTC 2023 , Edited by admin on Fri Dec 15 15:46:41 UTC 2023
PRIMARY RxNorm