2,6-Dimethyl-4-heptanone

Modify Date: 2024-01-02 23:11:12

2,6-Dimethyl-4-heptanone Structure
2,6-Dimethyl-4-heptanone structure
 Common Name 2,6-Dimethyl-4-heptanone
CAS Number 108-83-8 Molecular Weight 142.239
Density 0.8±0.1 g/cm3 Boiling Point 170.3±8.0 °C at 760 mmHg
Molecular Formula C9H18O Melting Point -46 °C
MSDS Chinese USA Flash Point 45.0±0.0 °C
Symbol GHS02 GHS07
GHS02, GHS07		 Signal Word Warning

 Names

Name 2,6-Dimethyl-4-heptanone
Synonym More Synonyms

 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

 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
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

 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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 Synonyms

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)
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1,1-diethoxy-2,6-dimethyl-4-heptanone
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2,6-dimethyl-3-((2-methyl-3-furyl)thio)-4-heptanone
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