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Substance Name: 4-Methyl-2-pentyl acetate
RN: 108-84-9
UNII: IP9ZB28RWN
InChIKey: CPIVYSAVIPTCCX-UHFFFAOYSA-N
Molecular Formula
- C8-H16-O2
Molecular Weight
- 144.2124
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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 (50 ppm)
- TWA 50 mg/m3 (300 ppm)
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Names and Synonyms
Name of Substance
- 4-Methyl-2-pentyl acetate
Synonyms
- 1,3-Dimethylbutyl acetate
- 1,3-Dimethylbutyl ethanoate
- 1,3-Dimethylbutylester kyseliny octove
- 1,3-Dimethylbutylester kyseliny octove [Czech]
- 2-Pentanol, 4-methyl-, acetate
- 4-02-00-00161 (Beilstein Handbook Reference)
- 4-Methyl-2-amyl acetate
- 4-Methyl-2-pentanol, acetate
- 4-Methyl-2-pentyl acetate
- Acetic acid, 1,3-dimethylbutyl ester
- AI3-11271
- BRN 1749848
- EINECS 203-621-7
- HSDB 1155
- Methyl amyl acetate
- Methylamyl acetate
- Methylisoamyl acetate
- Methylisobutylcarbinol acetate
- Methylisobutylcarbinyl acetate
- NSC 567
- sek.Isohexylester kyseliny octove
- sek.Isohexylester kyseliny octove [Czech]
- UNII-IP9ZB28RWN
Systematic Names
- 1,3-Dimethylbutyl acetate
- 2-Pentanol, 4-methyl-, 2-acetate
- 2-Pentanol, 4-methyl-, acetate
Superlist Names
- Methyl amyl acetate
- Methylamyl acetate
- Methylamyl acetate [UN1233] [Flammable liquid]
- sec-Hexyl acetate
- UN1233
Registry Numbers
CAS Registry Number
- 108-84-9
FDA UNII
- IP9ZB28RWN
Other Registry Number
- 155749-22-7
System Generated Number
- 0000108849
Structure Descriptors
InChI
InChI=1S/C8H16O2/c1-6(2)5-7(3)10-8(4)9/h6-7H,5H2,1-4H3InChIKey
CPIVYSAVIPTCCX-UHFFFAOYSA-NSmiles
CC(C)Toxicity
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| human | TCLo | inhalation | 100ppm (100ppm) | SENSE ORGANS AND SPECIAL SENSES: CONJUNCTIVE IRRITATION: EYE SENSE ORGANS AND SPECIAL SENSES: OTHER CHANGES: OLFACTION LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES | Journal of Industrial Hygiene and Toxicology. Vol. 28, Pg. 262, 1946. |
| rabbit | LD50 | skin | > 20mL/kg (20mL/kg) | AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 10, Pg. 61, 1954. | |
| rat | LCLo | inhalation | 2000ppm/4H (2000ppm) | Union Carbide Data Sheet. Vol. 7/28/1966, | |
| rat | LD50 | oral | 6160mg/kg (6160mg/kg) | Union Carbide Data Sheet. Vol. 7/28/1966, |
Physical Properties
| Physical Property | Value | Units | Temp (deg C) | Source |
|---|---|---|---|---|
| Melting Point | -6.40E+01 | deg C | EXP | |
| Boiling Point | 147.5 | deg C | EXP | |
| log P (octanol-water) | 2.680 | (none) | EST | |
| Water Solubility | 1300 | mg/L | 20 | EXP |
| Vapor Pressure | 4 | mm Hg | 20 | EXP |
| Henry's Law Constant | 5.84E-04 | atm-m3/mole | 25 | EST |
| Atmospheric OH Rate Constant | 8.16E-12 | cm3/molecule-sec | 25 | EST |
Physical property data is provided to ChemIDplus by SRC, Inc.