2,6-Dimethyl-4-heptanone

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Names

[ CAS No. ]:
108-83-8

[ Name ]:
2,6-Dimethyl-4-heptanone

[Synonym ]:
DIISOBUTYL KETONE (DIBK): CP
2,6-DIMETHYL-4-HEPTA
4-01-00-03360 (Beilstein Handbook Reference)
ISOBUTYL KETONE
2,6-Dimethyl-4-Heptanone (Dibk )
EINECS 203-620-1
DIISOBUTYL KETONE FOR SYNTHESIS
isovaleron
DIISOBUTYL KETONE (DIBK)
1Y1&1V1Y1&1
Diisobutyl ketone,Isovalerone
FEMA 3537
ISOVALERONE
MFCD00008940
METHYL NONYL KETONE, 2-HENDECANONE
VALERONE
2,6-Dimethylheptan-4-one
2,5-DIMETHOXY-4-PIPERIDIN-1-YL-BENZALDEHYDE
4-Heptanone, 2,6-dimethyl-
DIBK
DI-ISO BUTYL KETONE
2,6-Dimethyl-4-heptanone
DI-ISOBUTYLKETONE
4-HEPTANONE,2,6-DIMETHYL-
Diisobutyl ketone
Diisobutylketon
DIISOBUTYLKETONE
2,6-DIMETHYL-4-HEPTANONE (ISO-BUTYL KETONE, ISO-NONANONE, ISO-VALERONE)

Chemical & Physical Properties

[ Density]:
0.8±0.1 g/cm3

[ Boiling Point ]:
170.3±8.0 °C at 760 mmHg

[ Melting Point ]:
-46 °C

[ Molecular Formula ]:
C9H18O

[ Molecular Weight ]:
142.239

[ Flash Point ]:
45.0±0.0 °C

[ Exact Mass ]:
142.135757

[ PSA ]:
17.07000

[ LogP ]:
2.66

[ Vapour density ]:
4.9 (vs air)

[ Vapour Pressure ]:
1.5±0.3 mmHg at 25°C

[ Index of Refraction ]:
1.414

[ Stability ]:
Stable. Flammable. Incompatible with strong oxidizing agents.

[ Water Solubility ]:
0.05 g/100 mL

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
MJ5775000
CHEMICAL NAME :
4-Heptanone, 2,6-dimethyl-
CAS REGISTRY NUMBER :
108-83-8
BEILSTEIN REFERENCE NO. :
1743163
LAST UPDATED :
199712
DATA ITEMS CITED :
41
MOLECULAR FORMULA :
C9-H18-O
MOLECULAR WEIGHT :
142.27
WISWESSER LINE NOTATION :
1Y1&1V1Y1&1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration into the eye
SPECIES OBSERVED :
Human
REFERENCE :
JIHTAB Journal of Industrial Hygiene and Toxicology. (Cambridge, MA) V.18-31, 1936-49. For publisher information, see AEHLAU. Volume(issue)/page/year: 28,262,1946
TYPE OF TEST :
Open irritation test
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
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 :
Open irritation test
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
REFERENCE :
UCDS** Union Carbide Data Sheet. (Union Carbide Corp., 39 Old Ridgebury Rd., Danbury, CT 06817) Volume(issue)/page/year: 12/15/1971
TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration into the eye
SPECIES OBSERVED :
Rodent - rabbit
REFERENCE :
AJOPAA American Journal of Ophthalmology. (Ophthalmic Pub. Co., 435 N. Michigan Ave., Suite 1415, Chicago, IL 60611) Series 3: V.1- 1918- Volume(issue)/page/year: 29,1363,1946 ** ACUTE TOXICITY DATA **
TYPE OF TEST :
TCLo - Lowest published toxic concentration
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Human
DOSE/DURATION :
50 ppm
TOXIC EFFECTS :
Sense Organs and Special Senses (Eye) - effect, not otherwise specified Behavioral - headache Gastrointestinal - nausea or vomiting
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: 1,23,1974
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
5750 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: 1,23,1974
TYPE OF TEST :
LCLo - Lowest published lethal concentration
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
2000 ppm/4H
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: 31,343,1949
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1416 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 :
16 gm/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: 1,23,1974 ** OTHER MULTIPLE DOSE TOXICITY DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
30 gm/kg/3W-I
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Liver - changes in liver weight
REFERENCE :
NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0571116
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
130 gm/kg/13W-I
TOXIC EFFECTS :
Liver - changes in liver weight Endocrine - hypoglycemia Nutritional and Gross Metabolic - weight loss or decreased weight gain
REFERENCE :
NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0571116
TYPE OF TEST :
TCLo - Lowest published toxic concentration
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
98 ppm/6H/9D-I
TOXIC EFFECTS :
Behavioral - fluid intake Kidney, Ureter, Bladder - urine volume increased Kidney, Ureter, Bladder - other changes in urine composition
REFERENCE :
TIHEEC Toxicology and Industrial Health. (Princeton Scientific Pub. Co., POB 2155, Princeton, NJ 08540) V.1- 1985- Volume(issue)/page/year: 3,443,1987
TYPE OF TEST :
TCLo - Lowest published toxic concentration
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
250 ppm/7H/6W-I
TOXIC EFFECTS :
Liver - changes in liver weight Kidney, Ureter, Bladder - changes in bladder weight
REFERENCE :
AMIHBC AMA Archives of Industrial Hygiene and Occupational Medicine. (Chicago, IL) V.2-10, 1950-54. For publisher information, see AEHLAU. Volume(issue)/page/year: 8,377,1953
TYPE OF TEST :
TCLo - Lowest published toxic concentration
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Rodent - guinea pig
DOSE/DURATION :
250 ppm/7H/6W-I
REFERENCE :
AMIHBC AMA Archives of Industrial Hygiene and Occupational Medicine. (Chicago, IL) V.2-10, 1950-54. For publisher information, see AEHLAU. Volume(issue)/page/year: 8,377,1953 *** REVIEWS *** ACGIH TLV-TWA 145 mg/m3 (25 ppm) DTLVS* The Threshold Limit Values (TLVs) and Biological Exposure Indices (BEIs) booklet issues by American Conference of Governmental Industrial Hygienists (ACGIH), Cincinnati, OH, 1996 Volume(issue)/page/year: TLV/BEI,1997 *** U.S. STANDARDS AND REGULATIONS *** EPA FIFRA 1988 PESTICIDE SUBJECT TO REGISTRATION OR RE-REGISTRATION FEREAC Federal Register. (U.S. Government Printing Office, Supt. of Documents, Washington, DC 20402) V.1- 1936- Volume(issue)/page/year: 54,7740,1989 MSHA STANDARD-air:TWA 25 ppm (150 mg/m3) DTLWS* "Documentation of the Threshold Limit Values for Substances in Workroom Air," Supplements. For publisher information, see 85INA8. Volume(issue)/page/year: 3,16,1973 OSHA PEL (Gen Indu):8H TWA 50 ppm (290 mg/m3) CFRGBR Code of Federal Regulations. (U.S. Government Printing Office, Supt. of Documents, Washington, DC 20402) Volume(issue)/page/year: 29,1910.1000,1994 OSHA PEL (Construc):8H TWA 50 ppm (290 mg/m3) CFRGBR Code of Federal Regulations. (U.S. Government Printing Office, Supt. of Documents, Washington, DC 20402) Volume(issue)/page/year: 29,1926.55,1994 OSHA PEL (Shipyard):8H TWA 50 ppm (290 mg/m3) CFRGBR Code of Federal Regulations. (U.S. Government Printing Office, Supt. of Documents, Washington, DC 20402) Volume(issue)/page/year: 29,1915.1000,1993 OSHA PEL (Fed Cont):8H TWA 50 ppm (290 mg/m3) CFRGBR Code of Federal Regulations. (U.S. Government Printing Office, Supt. of Documents, Washington, DC 20402) Volume(issue)/page/year: 41,50-204.50,1994 *** OCCUPATIONAL EXPOSURE LIMITS *** OEL-AUSTRALIA:TWA 25 ppm (150 mg/m3) JAN 1993 OEL-BELGIUM:TWA 25 ppm (145 mg/m3) JAN 1993 OEL-DENMARK:TWA 25 ppm (150 mg/m3) JAN 1993 OEL-FINLAND:TWA 25 ppm (150 mg/m3);STEL 40 ppm (225 mg/m3) JAN 1993 OEL-FRANCE:TWA 25 ppm (150 mg/m3) JAN 1993 OEL-GERMANY:TWA 50 ppm (290 mg/m3) JAN 1993 OEL-THE NETHERLANDS:TWA 25 ppm (150 mg/m3) JAN 1993 OEL-THE PHILIPPINES:TWA 50 ppm (290 mg/m3) JAN 1993 OEL-SWITZERLAND:TWA 25 ppm (150 mg/m3) JAN 1993 OEL-TURKEY:TWA 50 ppm (290 mg/m3) JAN 1993 OEL-UNITED KINGDOM:TWA 25 ppm (150 mg/m3) JAN 1993 OEL IN BULGARIA, COLOMBIA, JORDAN, KOREA check ACGIH TLV OEL IN NEW ZEALAND, SINGAPORE, VIETNAM check ACGIH TLV *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH RECOMMENDED EXPOSURE LEVEL (REL) : NIOSH REL TO DIISOBUTYL KETONE-air:10H TWA 25 ppm REFERENCE : NIOSH* National Institute for Occupational Safety and Health, U.S. Dept. of Health, Education, and Welfare, Reports and Memoranda. Volume(issue)/page/year: DHHS #92-100,1992 NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 25820 No. of Facilities: 7290 (estimated) No. of Industries: 56 No. of Occupations: 49 No. of Employees: 55554 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - 25820 No. of Facilities: 6204 (estimated) No. of Industries: 66 No. of Occupations: 59 No. of Employees: 72926 (estimated) No. of Female Employees: 14857 (estimated)

Safety Information

[ Symbol ]:

GHS02, GHS07

[ Signal Word ]:
Warning

[ Hazard Statements ]:
H226-H335

[ Precautionary Statements ]:
P210-P370 + P378

[ Personal Protective Equipment ]:
Eyeshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter

[ Hazard Codes ]:
Xi:Irritant

[ Risk Phrases ]:
R10;R37

[ Safety Phrases ]:
S24

[ RIDADR ]:
UN 1157 3/PG 3

[ WGK Germany ]:
1

[ RTECS ]:
MJ5775000

[ Packaging Group ]:
III

[ Hazard Class ]:
3

[ HS Code ]:
2914190090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 2,6-Dimethyl-4-heptanol
  • Phorone
  • Acetone
  • Isopropyl ether
  • Isopropanol
  • N-(2,6-dimethylheptan-4-ylidene)hydroxylamine
  • 3-Methyl-1-butanol
  • 4-Heptanone,2,6-dimethyl-, 2-(2,4-dinitrophenyl)hydrazone
  • 3-Methylbutanoic acid
  • Triisobutylaluminum

DownStream

  • 2,6-dimethylhept-3-yne
  • 3-Methylbutanoic acid
  • 2,4,6-Trimethylheptane
  • 2,6-dimethylhept-3-en-4-yloxy(trimethyl)silane
  • Isobutyl isovalerate
  • 4-ethynyl-2,6-dimethylheptan-4-ol
  • 2,6-DIMETHYLHEPTANE
  • 2,6-Dimethyl-4-heptanol
  • Acetone

Customs

[ HS Code ]: 2914190090

[ Summary ]:
2914190090 other acyclic ketones without other oxygen function。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:5.5%。General tariff:30.0%

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Related Compounds

  • 3-Chloro-2,6-dimethyl-4-heptanone
  • 3-Fluoro-2,6-dimethyl-4-heptanone
  • 3,5-DIBROMO-2,6-DIMETHYL-4-HEPTANONE
  • 1,1-diethoxy-2,6-dimethyl-4-heptanone
  • 2,6-dimethyl-3-((2-methyl-3-furyl)thio)-4-heptanone
  • 2,6-dimethyl-4-morpholin-4-ylpyridine-3-carboxamide
  • 4-((Cyclohexylamino)methyl)benzoic acid hydrochloride
  • 1-[(2,4-Dichlorophenyl)methyl]-N-(1,1-dimethylethyl)-2-methyl-1H-indole-3-methanamine
  • 3,4-Difluoro-2-isobutoxyaniline
  • 3-Fluorenylacetic acid
  • 2-Methoxy-6-(pyrazol-1-yl)-benzonitrile
  • 1H-3-Benzazepin-7-ol, 8-chloro-2,3,4,5-tetrahydro-5-(3-iodophenyl)-3-methyl-, (S)-
  • 3-(3-Amino-4-bromo-1H-pyrazol-1-YL)propanamide
  • 4,5-Dimethyl-3-(1-methyl-1h-1,2,4-triazol-5-yl)thiophen-2-amine
  • (4-Methyl-tetrahydro-furan-2-yl)-methanol
  • N-(1-cyanocyclopentyl)-2-[4-(4-fluorobenzenesulfonyl)-1,4-diazepan-1-yl]acetamide