2,6-Dimethyl-4-heptanol
Names
[ CAS No. ]:
108-82-7
[ Name ]:
2,6-Dimethyl-4-heptanol
[Synonym ]:
MFCD00008944
2,6-Dimethyl-4-heptanol
2,6-dimethylheptan-4-ol
4-Heptanol, 2,6-dimethyl-
EINECS 203-619-6
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
[ Water Solubility ]:
insoluble
MSDS
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 DATA
ACUTE 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 Unpublished Report.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
Synthetic Route
Precursor & DownStream
Precursor
DownStream
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%
Articles
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)