Introduction：Basic information about CAS 108-82-7|2,6-Dimethyl-4-heptanol, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 2,6-Dimethyl-4-heptanol |
|---|
| CAS Number | 108-82-7 | Molecular Weight | 144.255 |
|---|
| Density | 0.8±0.1 g/cm3 | Boiling Point | 174.5±0.0 °C at 760 mmHg |
|---|
| Molecular Formula | C9H20O | Melting Point | -65ºC |
|---|
| MSDS | ChineseUSA | Flash Point | 66.1±0.0 °C |
|---|
Names
| Name | Diisobutylcarbinol |
|---|
| Synonym | More Synonyms |
|---|
Chemical & Physical Properties
| Density | 0.8±0.1 g/cm3 |
|---|
| Boiling Point | 174.5±0.0 °C at 760 mmHg |
|---|
| Melting Point | -65ºC |
|---|
| Molecular Formula | C9H20O |
|---|
| Molecular Weight | 144.255 |
|---|
| Flash Point | 66.1±0.0 °C |
|---|
| Exact Mass | 144.151413 |
|---|
| PSA | 20.23000 |
|---|
| LogP | 2.98 |
|---|
| Vapour Pressure | 0.4±0.7 mmHg at 25°C |
|---|
| Index of Refraction | 1.427 |
|---|
| InChIKey | HXQPUEQDBSPXTE-UHFFFAOYSA-N |
|---|
| SMILES | CC(C)CC(O)CC(C)C |
|---|
| Water Solubility | insoluble |
|---|
Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- MJ3325000
- CHEMICAL NAME :
- 4-Heptanol, 2,6-dimethyl-
- CAS REGISTRY NUMBER :
- 108-82-7
- BEILSTEIN REFERENCE NO. :
- 1733804
- LAST UPDATED :
- 199806
- DATA ITEMS CITED :
- 8
- MOLECULAR FORMULA :
- C9-H20-O
- MOLECULAR WEIGHT :
- 144.29
- WISWESSER LINE NOTATION :
- 1Y1&1YQ1Y1&1
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 3560 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- JIHTAB Journal of Industrial Hygiene and Toxicology. (Cambridge, MA) V.18-31, 1936-49. For publisher information, see AEHLAU. Volume(issue)/page/year: 31,60,1949
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 800 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- NPIRI* Raw Material Data Handbook, Vol.1: Organic Solvents, 1974. (National Assoc. of Printing Ink Research Institute, Francis McDonald Sinclair Memorial Laboratory, Lehigh Univ., Bethlehem, PA 18015) Volume(issue)/page/year: 1,22,1974
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 3530 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- SCCUR* Shell Chemical Company. Unpublished Report. (2401 Crow Canyon Rd., San Romon, CA 94583) Volume(issue)/page/year: -,4,1961
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Administration onto the skin
- SPECIES OBSERVED :
- Rodent - rabbit
- DOSE/DURATION :
- 4600 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- NPIRI* Raw Material Data Handbook, Vol.1: Organic Solvents, 1974. (National Assoc. of Printing Ink Research Institute, Francis McDonald Sinclair Memorial Laboratory, Lehigh Univ., Bethlehem, PA 18015) Volume(issue)/page/year: 1,22,1974 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 84533 No. of Facilities: 86 (estimated) No. of Industries: 2 No. of Occupations: 4 No. of Employees: 759 (estimated)
|
Safety Information
| Personal Protective Equipment | Eyeshields;Gloves;half-mask respirator (US);multi-purpose combination respirator cartridge (US) |
|---|
| Hazard Codes | Xi |
|---|
| Risk Phrases | R36/37/38 |
|---|
| Safety Phrases | S26-S36/37/39-S24/25 |
|---|
| RIDADR | NA 1993 / PGIII |
|---|
| WGK Germany | 2 |
|---|
| RTECS | MJ3325000 |
|---|
| Packaging Group | I; II; III |
|---|
| HS Code | 2905199090 |
|---|
Customs
| HS Code | 2905199090 |
|---|
| Summary | 2905199090. saturated monohydric alcohols. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:5.5%. General tariff:30.0% |
|---|
Articles3
More Articles
| Dynamic kinetic resolutions and asymmetric transformations by enzymes coupled with metal catalysis. Curr. Opin. Biotechnol. 13(6) , 578-87, (2002) The combination of enzyme and metal catalysis is described as a useful method for the synthesis of optically active compounds. A key feature of this new methodology is the use of metal catalysts for t... | |
| Lipase/ruthenium-catalyzed dynamic kinetic resolution of hydroxy acids, diols, and hydroxy aldehydes protected with a bulky group. J. Org. Chem. 66(13) , 4736-8, (2001)
| |
| Dynamic kinetic resolution of secondary alcohols by enzyme–metal combinations in ionic liquid. Kim MJ, et al. Green Chem. 6(9) , 471-474, (2004)
| |
Synonyms
| MFCD00008944 |
| 2,6-Dimethyl-4-heptanol |
| 2,6-dimethylheptan-4-ol |
| 4-Heptanol, 2,6-dimethyl- |
| EINECS 203-619-6 |
