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108-84-9

108-84-9 structure
108-84-9 structure
  • Name: 1,3-dimethylbutyl acetate
  • Chemical Name: 4-methylpentan-2-yl acetate
  • CAS Number: 108-84-9
  • Molecular Formula: C8H16O2
  • Molecular Weight: 144.21100
  • Create Date: 2018-03-24 08:00:00
  • Modify Date: 2024-01-02 09:16:04

Name 4-methylpentan-2-yl acetate
Synonyms Methylisobutylcarbinol acetate
1,3-Dimethylbutyl ethanoate
Methylamyl acetate
MFCD00053723
2-Pentanol,4-methyl-,acetate
sec-Hexyl acetate
4-Methyl-2-amyl acetate
Methylisoamyl acetate
EINECS 203-621-7
1,3-Dimethylbutyl acetate
Acetic Acid 1,3-Dimethylbutyl Ester
Acetic Acid 4-Methyl-2-pentyl Ester
4-methyl-2-pentyl acetate
Density 0,86 g/cm3
Boiling Point 144°C
Melting Point -63.8ºC
Molecular Formula C8H16O2
Molecular Weight 144.21100
Flash Point 45°C
Exact Mass 144.11500
PSA 26.30000
LogP 1.98410
Vapour Pressure 2.91mmHg at 25°C
Index of Refraction 1.411

CHEMICAL IDENTIFICATION

RTECS NUMBER :
SA7525000
CHEMICAL NAME :
2-Pentanol, 4-methyl-, acetate
CAS REGISTRY NUMBER :
108-84-9
BEILSTEIN REFERENCE NO. :
1749848
LAST UPDATED :
199806
DATA ITEMS CITED :
32
MOLECULAR FORMULA :
C8-H16-O2
MOLECULAR WEIGHT :
144.24
WISWESSER LINE NOTATION :
1Y1&1Y1&OV1

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 :
UCDS** Union Carbide Data Sheet. (Union Carbide Corp., 39 Old Ridgebury Rd., Danbury, CT 06817) Volume(issue)/page/year: 7/28/1966 ** ACUTE TOXICITY DATA **
TYPE OF TEST :
TCLo - Lowest published toxic concentration
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Human
DOSE/DURATION :
100 ppm
TOXIC EFFECTS :
Sense Organs and Special Senses (Olfaction) - effect, not otherwise specified Sense Organs and Special Senses (Eye) - conjunctive irritation Lungs, Thorax, or Respiration - other changes
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 :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
6160 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
UCDS** Union Carbide Data Sheet. (Union Carbide Corp., 39 Old Ridgebury Rd., Danbury, CT 06817) Volume(issue)/page/year: 7/28/1966
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 :
UCDS** Union Carbide Data Sheet. (Union Carbide Corp., 39 Old Ridgebury Rd., Danbury, CT 06817) Volume(issue)/page/year: 7/28/1966
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
>20 mL/kg
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: 10,61,1954 *** REVIEWS *** ACGIH TLV-TWA 295 mg/m3 (50 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 *** MSHA STANDARD-air:TWA 50 ppm (300 mg/m3) 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: 3,127,1971 OSHA PEL (Gen Indu):8H TWA 50 ppm (300 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 (300 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 (300 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 (300 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 50 ppm (300 mg/m3) JAN 1993 OEL-BELGIUM:TWA 50 ppm (295 mg/m3) JAN 1993 OEL-DENMARK:TWA 50 ppm (300 mg/m3) JAN 1993 OEL-FINLAND:TWA 50 ppm (300 mg/m3);STEL 75 ppm (450 mg/m3) JAN 1993 OEL-FRANCE:TWA 50 ppm (300 mg/m3) JAN 1993 OEL-GERMANY:TWA 50 ppm (300 mg/m3) JAN 1993 OEL-THE NETHERLANDS:TWA 50 ppm (300 mg/m3) JAN 1993 OEL-THE PHILIPPINES:TWA 50 ppm (300 mg/m3) JAN 1993 OEL-SWITZERLAND:TWA 50 ppm (300 mg/m3);STEL 100 ppm (600 mg/m3) JAN 1993 OEL-TURKEY:TWA 50 ppm (300 mg/m3) JAN 1993 OEL-UNITED KINGDOM:TWA 50 ppm (300 mg/m3);STEL 100 ppm 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 sec-HEXYL ACETATE-air:10H TWA 50 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 - T1668 No. of Facilities: 5 (estimated) No. of Industries: 1 No. of Occupations: 1 No. of Employees: 20 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - T1668 No. of Facilities: 15 (estimated) No. of Industries: 1 No. of Occupations: 1 No. of Employees: 145 (estimated)
Hazard Codes F;Xi
Risk Phrases R10
Safety Phrases S16
RIDADR 3272
RTECS SA7525000
Packaging Group III
Hazard Class 3.2
HS Code 2915390090

~81%

108-84-9 structure

108-84-9

Literature: Ferreira, Hercules V.; Rocha, Lenilson C.; Severino, Richele P.; Porto, Andre L. M. Molecules, 2012 , vol. 17, # 8 p. 8955 - 8967,13 Title/Abstract Full Text Show Details Ferreira, Hercules V.; Rocha, Lenilson C.; Severino, Richele P.; Porto, Andre L.M. Molecules, 2012 , vol. 17, # 8 p. 8955 - 8967

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108-84-9 structure

108-84-9

Literature: Molecules, , vol. 17, # 8 p. 8955 - 8967,13 Molecules, , vol. 17, # 8 p. 8955 - 8967

~15%

108-84-9 structure

108-84-9

Literature: Yeung, Dominic W. K.; Warkentin, John Canadian Journal of Chemistry, 1980 , vol. 58, # 22 p. 2386 - 2394

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108-84-9 structure

108-84-9

Literature: Chemistry - A European Journal, , vol. 11, # 8 p. 2455 - 2461

~80%

108-84-9 structure

108-84-9

Literature: Kamijo, Tetsuhide; Yamamoto, Ryoji; Harada, Hiromu; Iizuka, Kinji Chemical & Pharmaceutical Bulletin, 1982 , vol. 30, # 11 p. 4242 - 4244

~6%

Detail
Literature: Journal of the American Chemical Society, , vol. 107, # 4 p. 988 - 995

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108-84-9 structure

108-84-9

Literature: Journal of the Chemical Society, Perkin Transactions 2: Physical Organic Chemistry (1972-1999), , # 11 p. 1609 - 1618
HS Code 2915390090
Summary 2915390090. esters of acetic acid. VAT:17.0%. Tax rebate rate:13.0%. Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward). MFN tariff:5.5%. General tariff:30.0%