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Substance Name: 1-Pentanol, 2-methyl-, 1-acetate
RN: 7789-99-3
InChIKey: UZTVUHTZGGZFCI-UHFFFAOYSA-N

Classification Codes

  • Skin / Eye Irritant
  • TSCA Flag E (Subject to the Section 5(e) Consent Order of TSCA)
  • TSCA Flag P (a Commenced PMN (Premanufacture Notice) Substance)
  • TSCA Flag S (Substance is Identified in a Proposed or Final SNUR (Significant New Use Rule) under TSCA)

Molecular Formula

  • C8-H16-O2

Molecular Weight

  • 144.212
 
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Names and Synonyms

Synonyms

  • 2-Methylamyl acetate
  • 2-Methylamylester kyseliny octove
  • 2-Methylamylester kyseliny octove [Czech]
  • 2-Methylpentyl acetate
  • 4-02-00-00160 (Beilstein Handbook Reference)
  • Acetic acid, 2-methylamyl ester
  • BRN 1749805

Systematic Names

  • 1-Pentanol, 2-methyl-, 1-acetate
  • 1-Pentanol, 2-methyl-, acetate
  • Acetic acid, 2-methylpentyl ester

Registry Numbers

CAS Registry Number

  • 7789-99-3

Other Registry Number

  • 155749-23-8

System Generated Number

  • 0007789993

Structure Descriptors

InChI

1S/C8H16O2/c1-4-5-7(2)6-10-8(3)9/h7H,4-6H2,1-3H3

InChIKey

UZTVUHTZGGZFCI-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin > 20mL/kg (20mL/kg)   AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 10, Pg. 61, 1954.
rat LD50 oral 7400mg/kg (7400mg/kg)   AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 10, Pg. 61, 1954.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 163 deg C   EXP
log P (octanol-water) 2.760 (none)   EST
Atmospheric OH Rate Constant 7.71E-12 cm3/molecule-sec 25 EST

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