chlorothymol
4-chloro-2-isopropyl-5-methylphenol
Identification
| Name | chlorothymol |
| IUPAC | 4-chloro-5-methyl-2-propan-2-ylphenol |
| CAS Number | 89-68-9 |
| EINECS | 201-930-1 |
| FDA UNII | LJ25TI0CVT |
| Molecular Formula | C10 H13 Cl O |
| Molecular Weight | 184.66481000 |
| MDL Number | MFCD00002326 |
| Nikkaji Number | J4.306K |
| Beilstein | 2084453 |
| XlogP3 | 3.90 (est) |
Regulatory
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 mmHg @ 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) |
Cosmetic Information
| CosIng | cosmetic data |
| Cosmetic Uses | antimicrobial agents |
No sensory data available
Safety Information
| Preferred SDS | View |
| Oral/Parenteral Toxicity | Not determined |
| Dermal Toxicity | subcutaneous-mouse LD50 2460 mg/kg |
| Inhalation Toxicity | Not determined |
GHS Classification
['GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)', 'GHS Label elements, including precautionary statements', 'PERIPHERAL NERVE AND SENSATION: SPASTIC PARALYSIS WITH OR WITHOUT SENSORY CHANGE']
Safety in Use
| 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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Potential Uses
Natural Occurrence
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
mono
chlorothymol
6-
chorothymol
1-
methyl-3-hydroxy-4-isopropyl-6-chlorobenzene
phenol, 4-chloro-5-methyl-2-(1-methylethyl)-
2-iso
propyl-4-chloro-5-methylphenol
thymol, 6-chloro-
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.