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Substance Name: alpha-Angelica lactone
RN: 591-12-8
UNII: 29CRF6L9C5
InChIKey: QOTQFLOTGBBMEX-UHFFFAOYSA-N

Molecular Formula

  • C5-H6-O2

Molecular Weight

  • 98.1004
 
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Names and Synonyms

Results Name

  • alpha-Angelica lactone

Name of Substance

  • 4-Hydroxy-3-pentenoic acid gamma-lactone

Synonyms

  • 2(3H)-Furanone, 5-methyl-
  • 3-Pentenoic acid, 4-hydroxy-, gamma-lactone
  • 4-Hydroxypent-3-enoic acid lactone
  • 5-17-09-00120 (Beilstein Handbook Reference)
  • 5-Methyl-2(3H)-furanone
  • AI3-04326
  • alpha(beta,gamma or delta2)-Angelica lactone
  • alpha-Angelica lactone
  • alpha-Angelicalactone
  • BRN 0108394
  • CCRIS 3594
  • delta(2)-Angelica lactone
  • delta(sup 2)-Angelica lactone
  • EINECS 209-701-8
  • FEMA No. 3293
  • gamma-Methyl-beta,gamma-crotonolactone
  • NSC 654
  • UNII-29CRF6L9C5

Systematic Names

  • 2(3H)-Furanone, 5-methyl-
  • 5-Methylfuran-2(3H)-one
  • alpha-Angelica lactone

Superlist Name

  • 4-Hydroxy-3-pentenoic acid gamma-lactone

Registry Numbers

CAS Registry Number

  • 591-12-8

FDA UNII

  • 29CRF6L9C5

System Generated Number

  • 0000591128

Structure Descriptors

InChI

1S/C5H6O2/c1-4-2-3-5(6)7-4/h2H,3H2,1H3

InChIKey

QOTQFLOTGBBMEX-UHFFFAOYSA-N

Smiles

C=1(OC(=O)CC1)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 3gm/kg (3000mg/kg)   Acta Pharmacologica et Toxicologica. Vol. 2, Pg. 109, 1946.
mouse LD50 oral 2800mg/kg (2800mg/kg)   Drug and Chemical Toxicology. Vol. 3, Pg. 249, 1980.
rat LD50 oral 3900mg/kg (3900mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

SENSE ORGANS AND SPECIAL SENSES: PTOSIS: EYE

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
National Technical Information Service. Vol. OTS0571138,

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 18 deg C   EXP
log P (octanol-water) 0.030 (none)   EST
Water Solubility 5.00E+04 mg/L 15 EXP
Atmospheric OH Rate Constant 6.90E-11 cm3/molecule-sec 23 EXP

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