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Substance Name: Isopropyl acetate
RN: 108-21-4
UNII: 1Y67AFK870
InChIKey: JMMWKPVZQRWMSS-UHFFFAOYSA-N
Note
- Cholesterol gallstone solvent.
Molecular Formula
- C5-H10-O2
Molecular Weight
- 102.132
- All
- Classifications
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- Names & Synonyms
- Registry Numbers
- Structure Descriptors
- Toxicity
- Physical Properties
Classification Codes
Classification Codes
- Human Data
- Skin / Eye Irritant
Superlist Classification Codes
- TWA (100 ppm); STEL (200 ppm)
- TWA 250 ppm (950 mg/m3)
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Names and Synonyms
Name of Substance
- 1-Methylethyl acetate
- Acetic acid, 1-methylethyl ester
- Isopropyl acetate
Synonyms
- 1-Methylethyl acetate
- 2-Acetoxypropane
- 2-Propyl acetate
- 4-02-00-00141 (Beilstein Handbook Reference)
- Acetate d'isopropyle
- Acetate d'isopropyle [French]
- Acetic acid, 1-methylethyl ester
- Acetic acid, isopropyl ester
- BRN 1740761
- CCRIS 6053
- EC 203-561-1
- EINECS 203-561-1
- FEMA No. 2926
- HSDB 159
- Isopropile (acetato di)
- Isopropile (acetato di) [Italian]
- Isopropyl (acetate d')
- Isopropyl (acetate d') [French]
- Isopropyl acetate
- Isopropyl ethanoate
- Isopropylacetaat
- Isopropylacetaat [Dutch]
- Isopropylacetat
- Isopropylacetat [German]
- Isopropyle (acetate d')
- Isopropyle (acetate d') [French]
- Isopropylester kyseliny octove
- Isopropylester kyseliny octove [Czech]
- NSC 9295
- Paracetat
- UNII-1Y67AFK870
Systematic Names
- Acetic acid, 1-methylethyl ester
- Acetic acid, isopropyl ester
- Isopropyl acetate
Superlist Names
- Acetic acid, 1-methylethyl ester
- Acetic acid, isopropyl ester
- Isopropyl acetate
- Isopropyl acetate [UN1220] [Flammable liquid]
- UN1220
Registry Numbers
CAS Registry Number
- 108-21-4
FDA UNII
- 1Y67AFK870
System Generated Number
- 0000108214
Structure Descriptors
InChI
InChI=1S/C5H10O2/c1-4(2)7-5(3)6/h4H,1-3H3InChIKey
JMMWKPVZQRWMSS-UHFFFAOYSA-NSmiles
CC(C)Toxicity
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
human | TCLo | inhalation | 200ppm (200ppm) | LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES | AMA Archives of Industrial Health. Vol. 21, Pg. 28, 1960. |
human | TCLo | unreported | 200ppm (200ppm) | SENSE ORGANS AND SPECIAL SENSES: CONJUNCTIVE IRRITATION: EYE | Journal of Industrial Hygiene and Toxicology. Vol. 28, Pg. 262, 1946. |
rabbit | LD50 | oral | 6946mg/kg (6946mg/kg) | Industrial Medicine and Surgery. Vol. 41, Pg. 31, 1972. | |
rabbit | LD50 | skin | > 20mL/kg (20mL/kg) | AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 10, Pg. 61, 1954. | |
rat | LC50 | inhalation | 50600mg/m3/8H (50600mg/m3) | American Industrial Hygiene Association Journal. Vol. 20, Pg. 364, 1959. | |
rat | LD | intraperitoneal | > 174mg/kg (174mg/kg) | Journal of Surgical Research. Vol. 53, Pg. 572, 1992. | |
rat | LD50 | oral | 6750mg/kg (6750mg/kg) | Union Carbide Data Sheet. Vol. 3/24/1970, | |
rat | LDLo | intravenous | 174mg/kg (174mg/kg) | Journal of Surgical Research. Vol. 53, Pg. 572, 1992. |
Physical Properties
Physical Property | Value | Units | Temp (deg C) | Source |
---|---|---|---|---|
Melting Point | -7.34E+01 | deg C | EXP | |
Boiling Point | 88.6 | deg C | EXP | |
log P (octanol-water) | 1.020 | (none) | EST | |
Water Solubility | 3.09E+04 | mg/L | 20 | EXP |
Vapor Pressure | 60.4 | mm Hg | 25 | EXP |
Henry's Law Constant | 2.78E-04 | atm-m3/mole | 25 | EXP |
Atmospheric OH Rate Constant | 3.40E-12 | cm3/molecule-sec | 25 | EXP |
Physical property data is provided to ChemIDplus by SRC, Inc.