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Substance Name: 1-Penten-3-one, 2-methyl-
RN: 25044-01-3
UNII: UN317OP2QX
InChIKey: GHHGVSCQWPVENX-UHFFFAOYSA-N

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C6-H10-O

Molecular Weight

  • 98.144
 
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Names and Synonyms

Name of Substance

  • 1-Penten-3-one, 2-methyl-

Synonyms

  • 2-Methyl-1-penten-3-one
  • Ethyl isopropenyl ketone
  • Isopropenyl ethyl ketone
  • UNII-UN317OP2QX

Systematic Name

  • 1-Penten-3-one, 2-methyl-

Registry Numbers

CAS Registry Number

  • 25044-01-3

FDA UNII

  • UN317OP2QX

System Generated Number

  • 0025044013

Structure Descriptors

InChI

1S/C6H10O/c1-4-6(7)5(2)3/h2,4H2,1,3H3

InChIKey

GHHGVSCQWPVENX-UHFFFAOYSA-N

Smiles

C(C(C)=C)(CC)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin 841mg/kg (841mg/kg) LUNGS, THORAX, OR RESPIRATION: DYSPNEA

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES
National Technical Information Service. Vol. OTS0539338-1,
rat LD50 oral 419mg/kg (419mg/kg) LUNGS, THORAX, OR RESPIRATION: DYSPNEA

SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES
National Technical Information Service. Vol. OTS0539338-1,

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -6.95E+01 deg C   EXP
Boiling Point 118.5 deg C   EXP
log P (octanol-water) 1.450 (none)   EST
Atmospheric OH Rate Constant 4.76E-11 cm3/molecule-sec 25 EST

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