Introduction：Basic information about CAS 5665-94-1|5-Chlorcarvacrol, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 5-Chlorcarvacrol |
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| CAS Number | 5665-94-1 | Molecular Weight | 184.66300 |
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| Density | 1.111g/cm3 | Boiling Point | 270.5ºC at 760 mmHg |
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| Molecular Formula | C10H13ClO | Melting Point | / |
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| MSDS | / | Flash Point | 117.4ºC |
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Names
| Name | 4-chloro-2-methyl-5-propan-2-ylphenol |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.111g/cm3 |
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| Boiling Point | 270.5ºC at 760 mmHg |
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| Molecular Formula | C10H13ClO |
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| Molecular Weight | 184.66300 |
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| Flash Point | 117.4ºC |
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| Exact Mass | 184.06500 |
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| PSA | 20.23000 |
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| LogP | 3.47740 |
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| Index of Refraction | 1.538 |
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| InChIKey | AFFXNOIULZQAML-UHFFFAOYSA-N |
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| SMILES | Cc1cc(Cl)c(C(C)C)cc1O |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- FI1400000
- CHEMICAL NAME :
- Carvacrol, 5-chloro-
- CAS REGISTRY NUMBER :
- 5665-94-1
- BEILSTEIN REFERENCE NO. :
- 3239606
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 5
- MOLECULAR FORMULA :
- C10-H13-Cl-O
- MOLECULAR WEIGHT :
- 184.68
- WISWESSER LINE NOTATION :
- QR DG B1 EY1&1
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 250 mg/kg
- TOXIC EFFECTS :
- Behavioral - altered sleep time (including change in righting reflex)
- REFERENCE :
- CBCCT* "Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. (National Academy of Science Library, 2101 Constitution Ave., NW, Washington, DC 20418) Volume(issue)/page/year: 5,338,1953
- TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 1500 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- AEPPAE Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. (Berlin, Ger.) V.110-253, 1925-66. For publisher information, see NSAPCC. Volume(issue)/page/year: 161,196,1931
- TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Mammal - cat
- DOSE/DURATION :
- 1 gm/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- AEPPAE Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. (Berlin, Ger.) V.110-253, 1925-66. For publisher information, see NSAPCC. Volume(issue)/page/year: 161,196,1931
- TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rabbit
- DOSE/DURATION :
- 750 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- AEPPAE Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. (Berlin, Ger.) V.110-253, 1925-66. For publisher information, see NSAPCC. Volume(issue)/page/year: 161,196,1931
- TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Amphibian - frog
- DOSE/DURATION :
- 400 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- AEPPAE Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. (Berlin, Ger.) V.110-253, 1925-66. For publisher information, see NSAPCC. Volume(issue)/page/year: 161,196,1931
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Safety Information
Customs
| HS Code | 2908199090 |
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| Summary | HS: 2908199090. derivatives of polyphenols or phenol-alcohols containing only halogen substituents and their salts. VAT:17.0%. tax rebate rate:9.0%. supervision conditions:None. MFN tariff:5.5%. general tariff:30.0% |
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Synonyms
| EINECS 227-122-9 |
| MCIT |
| 4-chloro-5-isopropyl-O-cresol |
| Chlorcarvacrol |
| Carvasept |
| 4-Chlor-carvacrol |
| 5-Chlorocarvacrol |
| CARVACROL,5-CHLORO |
| 5-Chlor-2-hydroxy-p-cymol |
| 4-Chlor-5-isopropyl-2-methyl-phenol |
| 4-chloro-5-isopropyl-2-methyl-phenol |
