2,6-Dimethyl-4-heptanol

Modify Date: 2025-08-20 08:50:37

2,6-Dimethyl-4-heptanol Structure
2,6-Dimethyl-4-heptanol structure
 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 Chinese USA 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 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 Unpublished Report.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

2,6-Dimethyl-4-heptanone structure

2,6-Dimethyl-4-...

CAS#:108-83-8

~96%

2,6-Dimethyl-4-heptanol Structure

2,6-Dimethyl-4-...

CAS#:108-82-7

Literature: Boyer, J.; Corriu, R. J. P.; Perz, R.; Reye, C. Tetrahedron, 1981 , vol. 37, p. 2165 - 2172
Phorone structure

Phorone

CAS#:504-20-1

~%

2,6-Dimethyl-4-heptanol Structure

2,6-Dimethyl-4-...

CAS#:108-82-7

Literature: DE230724 ; Fortschr. Teerfarbenfabr. Verw. Industriezweige, vol. 10, p. 95 Chemische Berichte, , vol. 43, p. 3397
2,6-Dimethyl-4-heptanone structure

2,6-Dimethyl-4-...

CAS#:108-83-8

Isopropanol structure

Isopropanol

CAS#:67-63-0

~%

2,6-Dimethyl-4-heptanol Structure

2,6-Dimethyl-4-...

CAS#:108-82-7

Acetone structure

Acetone

CAS#:67-64-1

Literature: Organometallics, , vol. 32, # 4 p. 966 - 979
tris(2,6-dimethylheptan-4-yl) borate structure

tris(2,6-dimeth...

CAS#:3088-77-5

Water structure

Water

CAS#:7732-18-5

~%

2,6-Dimethyl-4-heptanol Structure

2,6-Dimethyl-4-...

CAS#:108-82-7

Boric acid structure

Boric acid

CAS#:11113-50-1

Literature: Industrial and Engineering Chemistry, , vol. 49, p. 174 - 181
Isobutyl magnesium bromide structure

Isobutyl magnes...

CAS#:926-62-5

Ethyl formate structure

Ethyl formate

CAS#:109-94-4

~%

2,6-Dimethyl-4-heptanol Structure

2,6-Dimethyl-4-...

CAS#:108-82-7

Literature: Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, , vol. 132, p. 338 Chem. Zentralbl., , vol. 72, # II p. 623
Phorone structure

Phorone

CAS#:504-20-1

~%

2,6-DIMETHYLHEPTANE structure

2,6-DIMETHYLHEPTANE

CAS#:1072-05-5

2,6-Dimethyl-4-heptanol Structure

2,6-Dimethyl-4-...

CAS#:108-82-7

2,6-Dimethyl-4-heptanone structure

2,6-Dimethyl-4-...

CAS#:108-83-8

Literature: Chemische Berichte, , vol. 41, p. 2940
Ethanol structure

Ethanol

CAS#:64-17-5

2,6-Dimethyl-4-heptanone structure

2,6-Dimethyl-4-...

CAS#:108-83-8

~%

2,6-Dimethyl-4-heptanol Structure

2,6-Dimethyl-4-...

CAS#:108-82-7

Literature: Annales de Chimie (Cachan, France), , vol. <8>19, p. 566 Annales de Chimie (Cachan, France), , vol. <8>20, p. 69
2-isobutyl-4-methyl-valeronitrile structure

2-isobutyl-4-me...

CAS#:29770-70-5

~%

2,6-Dimethyl-4-heptanol Structure

2,6-Dimethyl-4-...

CAS#:108-82-7

Literature: Annales de Chimie (Cachan, France), , vol. <8>19, p. 566 Annales de Chimie (Cachan, France), , vol. <8>20, p. 69

 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
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