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Substance Name: 2-Pentyl acetate
RN: 626-38-0
UNII: B570113U4Q
InChIKey: GQKZRWSUJHVIPE-UHFFFAOYSA-N

Molecular Formula

  • C7-H14-O2

Molecular Weight

  • 130.1856
 

Classification Codes

Classification Code

  • Human Data

Superlist Classification Codes

  • Reportable Quantity (RQ) = 5000 lb
  • TWA (50 ppm); STEL (100 ppm)
  • TWA 125 ppm (650 mg/m3)
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Names and Synonyms

Name of Substance

  • 2-Pentyl acetate

Synonyms

  • 1-Methylbutyl acetate
  • 2-Acetoxypentane
  • 2-Amylester kyseliny octove
  • 2-Amylester kyseliny octove [Czech]
  • 2-Pentanol, acetate
  • 2-Pentyl acetate
  • 4-02-00-00155 (Beilstein Handbook Reference)
  • BRN 1721249
  • EINECS 210-946-8
  • HSDB 6291
  • sec-Amyl acetate
  • sek.Amylester kyseliny octove
  • sek.Amylester kyseliny octove [Czech]
  • UNII-B570113U4Q

Systematic Names

  • 1-Methylbutyl acetate
  • 2-Pentanol, 2-acetate
  • 2-Pentanol, acetate
  • Acetic acid, 2-pentyl ester

Superlist Names

  • 2-Pentanol, acetate
  • Pentyl acetate, all isomers
  • sec-Amyl acetate

Registry Numbers

CAS Registry Number

  • 626-38-0

FDA UNII

  • B570113U4Q

Other Registry Number

  • 116783-17-6

System Generated Number

  • 0000626380

Structure Descriptors

InChI

1S/C7H14O2/c1-4-5-6(2)9-7(3)8/h6H,4-5H2,1-3H3

InChIKey

GQKZRWSUJHVIPE-UHFFFAOYSA-N

Smiles

O(C(CCC)C)C(=O)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LCLo inhalation 10000ppm/5H (10000ppm) SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE

SENSE ORGANS AND SPECIAL SENSES: OTHER CHANGES: OLFACTION

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Public Health Reports. Vol. 51, Pg. 811, 1936.
human TCLo inhalation 200ppm (200ppm) 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. 25, Pg. 282, 1943.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -1.00E+02 deg C   EXP
Boiling Point 130.5 deg C   EXP
log P (octanol-water) 2.260 (none)   EST
Water Solubility 1070 mg/L 25 EST
Vapor Pressure 9.780 mm Hg 25 EST
Henry's Law Constant 7.93E-04 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 6.76E-12 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.