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Substance Name: delta-Valerolactone
RN: 542-28-9
UNII: 14V1X9149L
InChIKey: OZJPLYNZGCXSJM-UHFFFAOYSA-N

Classification Code

  • TSCA Flag P (a Commenced PMN (Premanufacture Notice) Substance)

Molecular Formula

  • C5-H8-O2

Molecular Weight

  • 100.116
 
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Names and Synonyms

Name of Substance

  • delta-Valerolactone

Synonyms

  • 5-Valerolactone
  • AI3-25024
  • delta-Valerolactone
  • delta-Valeryllactone
  • EC 208-807-1
  • EINECS 208-807-1
  • NSC 6247
  • Penta-1,5-lactone
  • Pentanoic acid, 5-hydroxy-, delta-lactone
  • Tetrahydro-2-pyranone
  • UNII-14V1X9149L
  • Valeric acid, delta-hydroxy-, delta-lactone

Systematic Names

  • 2H-Pyran-2-one, tetrahydro-
  • delta-Valerolactone

Registry Numbers

CAS Registry Number

  • 542-28-9

FDA UNII

  • 14V1X9149L

System Generated Number

  • 0000542289

Structure Descriptors

InChI

1S/C5H8O2/c6-5-3-1-2-4-7-5/h1-4H2

InChIKey

OZJPLYNZGCXSJM-UHFFFAOYSA-N

Smiles

C1(CCCCO1)=O

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -1.25E+01 deg C   EXP
Boiling Point 219 deg C   EXP
log P (octanol-water) -0.35 (none)   EXP
Water Solubility 2.33E+05 mg/L 25 EST
Vapor Pressure 0.375 mm Hg 25 EST
Henry's Law Constant 1.36E-04 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 5.02E-12 cm3/molecule-sec 25 EST

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