Grundinformationen
- CAS
89-68-9- Standard-SMILES
Cc1cc(O)c(C(C)C)cc1Cl- InChIKey
KFZXVMNBUMVKLN-UHFFFAOYSA-N- Summenformel
- C10H13ClO
- Durchschnittliche Molmasse
- 184,66 g/mol
- Monoisotopische Masse
- 184,0654927
Überblick
The CIR Expert panel concludes Sodium p-Chloro-m-Cresol, p-Chloro-m-Cresol, Chlorothymol, m-Cresol, o-Cresol, Isopropyl Cresols, Thymol, o-Cymen-5-ol, Cavacrol are safe at concentrations up to 0.5% in cosmetics; however, the available data are insufficient to support the safety of p-Cresol and Mixed Cresols for use in cosmetic products.
Namen und Bezeichner
- Bevorzugter Name
- Chlorothymol
- IUPAC
- 4-chloro-5-methyl-2-propan-2-ylphenol
- Lokaler Name
- 6-Chlorthymol
- Englischer Name
- 4-Chloro-2-isopropyl-5-methylphenol
- Summenformel
- C10H13ClO
- Molmasse
- 184.66
Namen und Synonyme
Chlorothymol89-68-94-Chloro-2-isopropyl-5-methylphenol6-Chlorothymol4-ChlorothymolChlorthymolTHYMOL, 6-CHLORO-Caswell No. 2164-Chlor-2-isopropyl-5-methylphenol4-Chloro-6-isopropyl-3-methylphenolPhenol, 4-chloro-5-methyl-2-(1-methylethyl)-4-Chloro-5-methyl-2-(1-methylethyl)phenol
Weitere Namen anzeigen
AI300120AI3 00120AI3-00120NSC406261NSC-4062616-chloro-thymo
LJ25TI0CVTChlorothymol [NF]NSC-4964DTXSID2041547UNII-LJ25TI0CVTEINECS 201-930-1EPA Pesticide Chemical Code 080403NSC 406261
Datenbank-Bezeichner
- CAS
89-68-9- PubChem CID
- 6982
- DTXSID
DTXSID2041547- ChEMBL
CHEMBL1441646- UNII
- LJ25TI0CVT
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3,9
- Polarare Oberfläche (TPSA)
- 20,2 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 12
- Formalladung
- 0
- Komplexität
- 147
Experimentelle und physikochemische Eigenschaften
Cosmetics
Cosmetic ingredients (Chlorothymol) -> CIR (Cosmetic Ingredient Review)
Deodorant; Oral care; Denaturant; Antimicrobial; Antiplaque
LogP3.92
Collision Cross Section140.5 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID2041547]
Physikochemische Eigenschaften
- Schmelzpunkt
- 60 · 60-62 °C (lit.)
- Siedepunkt
- 259 · 259-263°C
- Dichte
- 1.0639 · 1.0639 (rough estimate)
- Brechungsindex
- 1.531 · 1.5310 (estimate)
- Flammpunkt
- 259 · 259-263°C
- storage temp.
- -20 °C · -20°C Freezer, Under inert atmosphere
- Löslichkeit
- 10 %, · ethanol: soluble10%, clear to very slightly hazy, yellow
- pka
- 10.16 · 10.16±0.23(Predicted)
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 76 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
Chemical: Phenol, 4-chloro-5-methyl-2-(1-methylethyl)-
6-Chlorothymol: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Toxikologische Informationen
Toxicity Summary
The CIR Expert panel concludes Sodium p-Chloro-m-Cresol, p-Chloro-m-Cresol, Chlorothymol, m-Cresol, o-Cresol, Isopropyl Cresols, Thymol, o-Cymen-5-ol, Cavacrol are safe at concentrations up to 0.5% in cosmetics; however, the available data are insufficient to support the safety of p-Cresol and Mixed Cresols for use in cosmetic products.
Safe for use in cosmetics, with qualifications
Sicherheitsdaten
- wgk
- 3
- tsca
- TSCA listed
- hs_code
Chemie und Industrie
Verwendung und Herstellung
UsesCIR ingredient: Chlorothymol
Household ProductsInformation on 1 consumer products that contain Chlorothymol in the following categories is provided:
Use ClassificationCosmetics -> Deodorant; Oral care; Denaturant; Antimicrobial; Antiplaque
General Manufacturing InformationPhenol, 4-chloro-5-methyl-2-(1-methylethyl)-: ACTIVE
Anwendungen
Verwenden4-Chloro-2-isopropyl-5-methylphenol is preservative; which is used in preparation method of nano-resin multifunctional ceramic tile interface agent.
Darstellung
synthetische4-Chloro-2-isopropyl-5-methylphenol is prepared by reaction of equimolar amounts of propene and 4-chloro-3-methylphenol in the presence of bleaching clay under pressure at 140–160 ℃ or by chlorination of thymol with SO2Cl2 in chloroform. On account of its microbicidal properties, chlorothymol is of importance as a raw material for disinfectants.
Anbieter80 Anbieter
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
北京诺德恒信化工技术有限公司010-84929330 13811281791 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）
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