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Substance Name: Amyl valerate
RN: 2173-56-0
UNII: 694D4BU139
InChIKey: FGPPDYNPZTUNIU-UHFFFAOYSA-N

Molecular Formula

  • C10-H20-O2

Molecular Weight

  • 172.266
 
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Names and Synonyms

Name of Substance

  • Amyl valerate

Synonyms

  • 1-Pentyl n-valerate
  • 4-02-00-00872 (Beilstein Handbook Reference)
  • AI3-01269
  • Amyl valerate
  • Amyl valerianate
  • BRN 1754427
  • EINECS 218-528-7
  • n-Pentyl valerate
  • NSC 76414
  • Pentyl pentanoate
  • Pentyl valerate
  • UNII-694D4BU139
  • Valeric acid, pentyl ester

Systematic Names

  • Pentanoic acid, pentyl ester
  • Pentyl valerate
  • Valeric acid, pentyl ester (8CI)

Superlist Name

  • n-Pentyl valerate

Registry Numbers

CAS Registry Number

  • 2173-56-0

FDA UNII

  • 694D4BU139

System Generated Number

  • 0002173560

Structure Descriptors

InChI

1S/C10H20O2/c1-3-5-7-9-12-10(11)8-6-4-2/h3-9H2,1-2H3

InChIKey

FGPPDYNPZTUNIU-UHFFFAOYSA-N

Smiles

O(C(=O)CCCC)CCCCC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LD50 oral > 17260mg/kg (17260mg/kg) SKIN AND APPENDAGES (SKIN): HAIR: OTHER Food and Cosmetics Toxicology. Vol. 2, Pg. 327, 1964.
rat LD50 oral > 35420mg/kg (35420mg/kg)   Food and Cosmetics Toxicology. Vol. 2, Pg. 327, 1964.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -7.88E+01 deg C   EXP
Boiling Point 203.7 deg C   EXP
log P (octanol-water) 3.810 (none)   EST
Atmospheric OH Rate Constant 9.07E-12 cm3/molecule-sec 25 EST

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