Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

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
 

Classification Codes

Classification Codes

  • Human Data
  • Skin / Eye Irritant

Superlist Classification Codes

  • TWA (50 ppm)
  • TWA 50 mg/m3 (300 ppm)
* denotes mobile formatted website

Links to Resources


Search for this InChIKey on the Web

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

1S/C8H16O2/c1-6(2)5-7(3)10-8(4)9/h6-7H,5H2,1-4H3

InChIKey

CPIVYSAVIPTCCX-UHFFFAOYSA-N

Smiles

C([C@@H](OC(C)=O)C)C(C)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.