chlorothymol
4-chloro-2-isopropyl-5-methylphenol
 
Notes:
None found
  • Penta International
    • Penta International Corporation
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      03-22500 CHLOROTHYMOL
       
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    • TCI AMERICA
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      C0294 4-Chloro-2-isopropyl-5-methylphenol >99.0%(GC)
       
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4-chloro-5-methyl-2-propan-2-ylphenol (Click)
CAS Number: 89-68-9Picture of molecule
ECHA EINECS - REACH Pre-Reg: 201-930-1
FDA UNII: LJ25TI0CVT
Nikkaji Web: J4.306K
Beilstein Number: 2084453
MDL: MFCD00002326
XlogP3: 3.90 (est)
Molecular Weight: 184.66481000
Formula: C10 H13 Cl O
BioActivity Summary: listing
NMR Predictor: Predict (works with chrome or firefox)
Category: cosmetic agents
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar: Search
Google Books: Search
Google Scholar: with word "volatile"Search
Google Scholar: with word "flavor"Search
Google Scholar: with word "odor"Search
Google Patents: Search
US Patents: Search
EU Patents: Search
Pubchem Patents: Search
PubMed: Search
NCBI: Search
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Physical Properties:
Assay: 95.00 to 100.00 % 
Food Chemicals Codex Listed: No
Melting Point: 63.00 °C. @ 760.00 mm Hg
Boiling Point: 258.50 °C. @ 760.00 mm Hg
Vapor Pressure: 0.009000 mm/Hg @ 25.00 °C. (est)
Flash Point: 229.00 °F. TCC ( 109.50 °C. ) (est)
logP (o/w): 3.920
Soluble in:
 water, 1000 mg/L @ 25 °C (exp)
 water, 89.19 mg/L @ 25 °C (est)
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Organoleptic Properties:
 
Odor and/or flavor descriptions from others (if found).
 
 
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Cosmetic Information:
CosIng: cosmetic data
Cosmetic Uses: antimicrobial agents
antiplaque agents
denaturants
deodorants
oral care agents
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Suppliers:
BOC Sciences
For experimental / research use only.
6-Chlorothymol 95%
Carbosynth
For experimental / research use only.
(4)6-Chlorothymol
Penta International
CHLOROTHYMOL
Santa Cruz Biotechnology
For experimental / research use only.
4-Chloro-2-isopropyl-5-methylphenol 98%
Sigma-Aldrich: Aldrich
For experimental / research use only.
4-Chloro-2-isopropyl-5-methylphenol 99%
TCI AMERICA
For experimental / research use only.
4-Chloro-2-isopropyl-5-methylphenol >99.0%(GC)
Universal Preserv-A-Chem Inc.
Chlorothymol
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Safety Information:
Preferred SDS: View
 
Hazards identification
 
Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
None found.
GHS Label elements, including precautionary statements
 
Pictogram
 
Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
Not determined
Dermal Toxicity:
subcutaneous-mouse LD50 2460 mg/kg
PERIPHERAL NERVE AND SENSATION: SPASTIC PARALYSIS WITH OR WITHOUT SENSORY CHANGE
Sapporo Igaku Zasshi. Sapporo Medical Journal. Vol. 3, Pg. 73, 1952.

Inhalation Toxicity:
Not determined
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Safety in Use Information:
Category: cosmetic agents
Recommendation for chlorothymol usage levels up to:
 not for fragrance use.
 
Recommendation for chlorothymol flavor usage levels up to:
 not for flavor use.
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Safety References:
EPI System: View
Env. Mutagen Info. Center: Search
EPA Substance Registry Services (TSCA): 89-68-9
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 6982
National Institute of Allergy and Infectious Diseases: Data
WGK Germany: 3
 4-chloro-5-methyl-2-propan-2-ylphenol
Chemidplus: 0000089689
RTECS: XP2620000 for cas# 89-68-9
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References:
 4-chloro-5-methyl-2-propan-2-ylphenol
NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 89-68-9
Pubchem (cid): 6982
Pubchem (sid): 134972988
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Other Information:
(IUPAC): Atomic Weights of the Elements 2009
(IUPAC): Atomic Weights of the Elements 2009 (pdf)
Videos: The Periodic Table of Videos
tgsc: Atomic Weights use for this web site
(IUPAC): Periodic Table of the Elements
CHEMBL: View
KEGG (GenomeNet): D07681
HMDB (The Human Metabolome Database): Search
Export Tariff Code: 2908.99.9000
ChemSpider: View
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Potential Blenders and core components note
 
None Found
 
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Potential Uses:
 antimicrobial agents 
 denaturants 
 deodorants 
 oral care agents 
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Occurrence (nature, food, other): note
 not found in nature
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Synonyms:
4-chloro-2-isopropyl-5-methyl phenol
4-chloro-2-isopropyl-5-methylphenol
6-chloro-4-isopropyl-1-methyl-3-phenol
4-chloro-5-methyl-2-(1-methyl ethyl) phenol
4-chloro-5-methyl-2-(1-methylethyl)phenol
4-chloro-5-methyl-2-(methylethyl)phenol
4-chloro-5-methyl-2-(propan-2-yl)phenol
4-chloro-5-methyl-2-propan-2-ylphenol
4-chloro-6-isopropyl-3-methyl phenol
4-chloro-6-isopropyl-3-methylphenol
4-chlorothymol
6-chlorothymol
monochlorothymol
6-chorothymol
1-methyl-3-hydroxy-4-isopropyl-6-chlorobenzene
 phenol, 4-chloro-5-methyl-2-(1-methylethyl)-
2-isopropyl-4-chloro-5-methylphenol
 thymol, 6-chloro-
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Articles:
PubMed: GABAergic pharmacological activity of propofol related compounds as possible enhancers of general anesthetics and interaction with membranes.
PubMed: Lipophilicity of some GABAergic phenols and related compounds determined by HPLC and partition coefficients in different systems.
PubMed: Acaricidal activities of some essential oils and their monoterpenoidal constituents against house dust mite, Dermatophagoides pteronyssinus (Acari: Pyroglyphidae).
PubMed: 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.
PubMed: Ointment bases for chlorothymol.
PubMed: A convenient laboratory preparation of chlorothymol, N. F. VIII.
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