Introduction：Basic information about CAS 14979-39-6|3-Heptanol, 4-methyl-, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 3-Heptanol, 4-methyl- |
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| CAS Number | 14979-39-6 | Molecular Weight | 130.22800 |
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| Density | 0.82 | Boiling Point | 98-99ºC (75 torr) |
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| Molecular Formula | C8H18O | Melting Point | -123°C |
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| MSDS | ChineseUSA | Flash Point | 54ºC |
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| Symbol |
GHS02, GHS07 | Signal Word | Warning |
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Names
| Name | 4-methyl-3-heptanol |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 0.82 |
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| Boiling Point | 98-99ºC (75 torr) |
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| Melting Point | -123°C |
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| Molecular Formula | C8H18O |
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| Molecular Weight | 130.22800 |
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| Flash Point | 54ºC |
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| Exact Mass | 130.13600 |
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| PSA | 20.23000 |
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| LogP | 2.19350 |
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| Vapour Pressure | 0.927mmHg at 25°C |
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| Index of Refraction | n20/D 1.43(lit.) |
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| InChIKey | BKQICAFAUMRYLZ-UHFFFAOYSA-N |
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| SMILES | CCCC(C)C(O)CC |
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| Storage condition | Flammables area |
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| Water Solubility | Soluble in ethanol, ether, acetone. Slightly soluble in water. |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- MJ4600000
- CHEMICAL NAME :
- 3-Heptanol, 4-methyl-
- CAS REGISTRY NUMBER :
- 14979-39-6
- BEILSTEIN REFERENCE NO. :
- 1733008
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 1
- MOLECULAR FORMULA :
- C8-H18-O
- MOLECULAR WEIGHT :
- 130.26
- WISWESSER LINE NOTATION :
- QY2&Y3&1
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 180 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#03236
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Safety Information
| Symbol |
GHS02, GHS07 |
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| Signal Word | Warning |
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| Hazard Statements | H226-H315-H319-H335 |
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| Precautionary Statements | P261-P305 + P351 + P338 |
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| Personal Protective Equipment | Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter |
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| Hazard Codes | Xi |
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| Risk Phrases | R10 |
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| Safety Phrases | S16 |
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| RIDADR | UN 1987 3/PG 3 |
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| WGK Germany | 3 |
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| RTECS | MJ4600000 |
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| Packaging Group | III |
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| HS Code | 2905199090 |
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Customs
| HS Code | 2905199090 |
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| Summary | 2905199090. saturated monohydric alcohols. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:5.5%. General tariff:30.0% |
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Synonyms
| 4-Methyl-3-Heptanol,Erythro + Threo |
| EINECS 239-058-9 |
| 4-methylheptan-3-ol |
| MFCD00004568 |
