Isoamyl acetate

Names

[ CAS No. ]:
123-92-2

[ Name ]:
Isoamyl acetate

[Synonym ]:
Acetic acid 3-methylbutyl ester,Isoamyl acetate
acetic acid isopentyl ester
Banana oil
ACETATE AMYLE
EINECS 204-662-3
3-methyl-1-butyl acetate
isopentyl acetate
iso-pentyl acetate
FEMA 2055
1-Butanol, 3-methyl-, acetate
ISOAMYLACETAT
(3-Methylbutyl) ethanoate
isoamyl ethanoate
femanumber2055
i-amylacetate
3-methyl-1-butanol acetate
MFCD00008946
Isoamyl acetate
isomyl acetate
3-Methylbutyl acetate

Chemical & Physical Properties

[ Density]:
0.9±0.1 g/cm3

[ Boiling Point ]:
142.1±0.0 °C at 760 mmHg

[ Melting Point ]:
-78 °C

[ Molecular Formula ]:
C₇H₁₄O₂

[ Molecular Weight ]:
130.185

[ Flash Point ]:
25.0±0.0 °C

[ Exact Mass ]:
130.099380

[ PSA ]:
26.30000

[ LogP ]:
2.12

[ Vapour density ]:
4.5 (vs air)

[ Vapour Pressure ]:
5.7±0.2 mmHg at 25°C

[ Index of Refraction ]:
1.404

[ Water Solubility ]:
0.20 g/100 mL. Slightly soluble

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: NS9800000

CHEMICAL NAME :: Isopentyl alcohol, acetate

CAS REGISTRY NUMBER :: 123-92-2

BEILSTEIN REFERENCE NO. :: 1744750

LAST UPDATED :: 199712

DATA ITEMS CITED :: 28

MOLECULAR FORMULA :: C7-H14-O2

MOLECULAR WEIGHT :: 130.21

WISWESSER LINE NOTATION :: 1Y1&2OV1

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 :: 16600 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: YKYUA6 Yakkyoku. Pharmacy. (Nanzando, 4-1-11, Yushima, Bunkyo-ku, Tokyo, Japan) V.1- 1950- Volume(issue)/page/year: 32,1241,1981

TYPE OF TEST :: LCLo - Lowest published lethal concentration

ROUTE OF EXPOSURE :: Inhalation

SPECIES OBSERVED :: Mammal - cat

DOSE/DURATION :: 35 gm/m3

TOXIC EFFECTS :: Behavioral - general anesthetic Behavioral - food intake (animal) Kidney, Ureter, Bladder - proteinuria

REFERENCE :: AGGHAR Archiv fuer Gewerbepathologie und Gewerbehygiene. (Berlin, Ger.) V.1-18, 1930-61. For publisher information, see IAEHDW. Volume(issue)/page/year: 5,1,1933

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: 7422 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: IMSUAI Industrial Medicine and Surgery. (Northbrook, IL) V.18-42, 1949-73. For publisher information, see IOHSA5. Volume(issue)/page/year: 41,31,1972

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Rodent - guinea pig

DOSE/DURATION :: 5 gm/kg

REFERENCE :: AGGHAR Archiv fuer Gewerbepathologie und Gewerbehygiene. (Berlin, Ger.) V.1-18, 1930-61. For publisher information, see IAEHDW. Volume(issue)/page/year: 5,1,1933 *** REVIEWS *** ACGIH TLV-TWA 532 mg/m3 (100 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 100 ppm (525 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: 3,138,1971 OSHA PEL (Gen Indu):8H TWA 100 ppm (525 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 100 ppm (525 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 100 ppm (525 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 100 ppm (525 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 100 ppm (525 mg/m3) JAN 1993 OEL-BELGIUM:TWA 100 ppm (532 mg/m3) JAN 1993 OEL-DENMARK:TWA 100 ppm (525 mg/m3) JAN 1993 OEL-FRANCE:TWA 100 ppm (525 mg/m3) JAN 1993 OEL-JAPAN:TWA 100 ppm (530 mg/m3) JAN 1993 OEL-THE NETHERLANDS:TWA 100 ppm (525 mg/m3) JAN 1993 OEL-THE PHILIPPINES:TWA 100 ppm (525 mg/m3) JAN 1993 OEL-RUSSIA:TWA 100 ppm JAN 1993 OEL-UNITED KINGDOM:TWA 100 ppm (525 mg/m3);STEL 125 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 ISOAMYL ACETATE-air:10H TWA 100 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 - 40370 No. of Facilities: 11016 (estimated) No. of Industries: 93 No. of Occupations: 75 No. of Employees: 96405 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - 40370 No. of Facilities: 7677 (estimated) No. of Industries: 62 No. of Occupations: 79 No. of Employees: 97668 (estimated) No. of Female Employees: 32512 (estimated)

Safety Information

[ Symbol ]:

GHS02

[ Signal Word ]:
Warning

[ Hazard Statements ]:
H226

[ Supplemental HS ]:
Repeated exposure may cause skin dryness or cracking.

[ Precautionary Statements ]:
P210-P370 + P378

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

[ Hazard Codes ]:
Xi: Irritant;

[ Risk Phrases ]:
R10;R66

[ Safety Phrases ]:
S23-S25-S2-S36/37/39-S26-S16

[ RIDADR ]:
UN 1104 3/PG 3

[ WGK Germany ]:
1

[ RTECS ]:
NS9800000

[ Packaging Group ]:
III

[ Hazard Class ]:
3

[ HS Code ]:
2915390090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

DownStream

Customs

[ 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%

Articles

Combined effects of nutrients and temperature on the production of fermentative aromas by Saccharomyces cerevisiae during wine fermentation.

Appl. Microbiol. Biotechnol. 99(5) , 2291-304, (2015)

Volatile compounds produced by yeast during fermentation greatly influence the organoleptic qualities of wine. We developed a model to predict the combined effects of initial nitrogen and phytosterol ...

Olfactometry Profiles and Quantitation of Volatile Sulfur Compounds of Swiss Tilsit Cheeses.

J. Agric. Food Chem. 63 , 7511-21, (2015)

To establish the odor profiles of three differently fabricated commercial Swiss Tilsit cheeses, analyses were conducted using headspace solid-phase microextraction gas chromatography-mass spectrometry...

How do esters and dimethyl sulphide concentrations affect fruity aroma perception of red wine? Demonstration by dynamic sensory profile evaluation.

Food Chem. 194 , 196-200, (2015)

Our study focused on variations in wine aroma perception and molecular composition during tasting over a period of 30min. In parallel, dynamic analytical and sensory methods were applied to study chan...