Introduction:Basic information about CAS 597-96-6|3-METHYL-3-HEXANOL, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 3-METHYL-3-HEXANOL |
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| CAS Number | 597-96-6 | Molecular Weight | 116.20100 |
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| Density | 0.823 | Boiling Point | 143ºC at 760mmHg |
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| Molecular Formula | C7H16O | Melting Point | / |
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| MSDS | / | Flash Point | 49.4ºC |
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Names
| Name | 3-methylhexan-3-ol |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 0.823 |
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| Boiling Point | 143ºC at 760mmHg |
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| Molecular Formula | C7H16O |
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| Molecular Weight | 116.20100 |
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| Flash Point | 49.4ºC |
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| Exact Mass | 116.12000 |
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| PSA | 20.23000 |
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| LogP | 1.94750 |
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| Index of Refraction | 1.425 |
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| InChIKey | KYWJZCSJMOILIZ-UHFFFAOYSA-N |
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| SMILES | CCCC(C)(O)CC |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- MP0950000
- CHEMICAL NAME :
- 3-Hexanol, 3-methyl-
- CAS REGISTRY NUMBER :
- 597-96-6
- BEILSTEIN REFERENCE NO. :
- 1719032
- LAST UPDATED :
- 199701
- DATA ITEMS CITED :
- 4
- MOLECULAR FORMULA :
- C7-H16-O
- MOLECULAR WEIGHT :
- 116.23
- WISWESSER LINE NOTATION :
- QX3&2&1
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 785 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 4,477,1954
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 680 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 5,161,1955
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 56 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#04237
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Safety Information
| Hazard Codes | F+ |
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| Risk Phrases | R10;R22 |
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| Safety Phrases | S23-S36/37 |
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| RIDADR | UN 1987 |
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| Packaging Group | III |
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Synonyms
| Methyl-aethyl-propyl-carbinol |
| Methyl-ethyl-propyl-carbinol |
| MFCD00021839 |
| 3-METHYL-3-HEXANOL |
| 3-Hexanol,3-methyl |
| 2-Ethyl-2-pentanol |
| EINECS 209-910-4 |