Introduction：Basic information about CAS 4630-82-4|Methyl cyclohexanoate, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Methyl cyclohexanoate |
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| CAS Number | 4630-82-4 | Molecular Weight | 142.196 |
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| Density | 1.0±0.1 g/cm3 | Boiling Point | 183.0±0.0 °C at 760 mmHg |
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| Molecular Formula | C8H14O2 | Melting Point | 183ºC |
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| MSDS | ChineseUSA | Flash Point | 60.0±0.0 °C |
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| Symbol |
GHS02 | Signal Word | Warning |
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Names
| Name | Methyl cyclohexanecarboxylate |
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| Synonym | More Synonyms |
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Methyl cyclohexanoate BiologicalActivity
| Description | Methyl cyclohexanecarboxylate is an endogenous metabolite. |
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| Related Catalog | Research Areas >>Metabolic Disease |
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| Target | Human Endogenous Metabolite |
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Chemical & Physical Properties
| Density | 1.0±0.1 g/cm3 |
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| Boiling Point | 183.0±0.0 °C at 760 mmHg |
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| Melting Point | 183ºC |
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| Molecular Formula | C8H14O2 |
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| Molecular Weight | 142.196 |
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| Flash Point | 60.0±0.0 °C |
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| Exact Mass | 142.099380 |
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| PSA | 26.30000 |
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| LogP | 2.24 |
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| Vapour Pressure | 0.8±0.3 mmHg at 25°C |
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| Index of Refraction | 1.449 |
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| InChIKey | ZQWPRMPSCMSAJU-UHFFFAOYSA-N |
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| SMILES | COC(=O)C1CCCCC1 |
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| Water Solubility | ALMOST INSOLUBLE |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- GU8599000
- CHEMICAL NAME :
- Cyclohexanecarboxylic acid, methyl ester
- CAS REGISTRY NUMBER :
- 4630-82-4
- BEILSTEIN REFERENCE NO. :
- 1306359
- LAST UPDATED :
- 199712
- DATA ITEMS CITED :
- 1
- MOLECULAR FORMULA :
- C8-H14-O2
- MOLECULAR WEIGHT :
- 142.22
- WISWESSER LINE NOTATION :
- L6TJ AVO1
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 3881 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- DCTODJ Drug and Chemical Toxicology. (Marcel Dekker, 270 Madison Ave., New York, NY 10016) V.1- 1977/78- Volume(issue)/page/year: 3,249,1980
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Safety Information
| Symbol |
GHS02 |
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| Signal Word | Warning |
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| Hazard Statements | H226 |
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| Personal Protective Equipment | Eyeshields;Gloves;half-mask respirator (US);multi-purpose combination respirator cartridge (US) |
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| Hazard Codes | Xi |
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| Risk Phrases | R36/37/38 |
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| Safety Phrases | S24/25 |
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| RIDADR | UN 3272 3/PG 3 |
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| WGK Germany | 2 |
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| RTECS | GU8599000 |
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| Packaging Group | III |
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| Hazard Class | 3.2 |
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| HS Code | 2915130000 |
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Customs
| HS Code | 2916209090 |
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| Summary | 2916209090 other cyclanic, cyclenic or cyclotherpenic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) MFN tariff:6.5% General tariff:30.0% |
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Synonyms
| Hexahydrobenzoic acid methyl ester |
| EINECS 225-050-2 |
| MFCD00001458 |
| Methyl cyclohexylformate |
| Cyclohexanecarboxylic acid methyl ester |
| methoxycarbonylcyclohexane |
| methyl cyclohexane-carboxylate |
| L6TJ AVO1 |
| Cyclohexanecarboxylic acid, methyl ester |
| Methyl cyclohexylcarboxylate |
| Methyl cyclohexanecarboxylate |
| CYCLOHEXANECARBOXYLIC ACID,METHYL ESTER |
| Methyl cyclohexanoate |
| Methyl hexahydrobenzoate |
