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Substance Name: Pentanal
RN: 110-62-3
UNII: B975S3014W
InChIKey: HGBOYTHUEUWSSQ-UHFFFAOYSA-N

Molecular Formula

  • C5-H10-O

Molecular Weight

  • 86.133
 

Classification Codes

Classification Codes

  • Mutation Data
  • Skin / Eye Irritant

Superlist Classification Code

  • TWA (50 ppm)

Names and Synonyms

Name of Substance

  • n-Valeraldehyde
  • Pentanal

Synonyms

  • 4-01-00-03268 (Beilstein Handbook Reference)
  • AI3-16105
  • Amyl aldehyde
  • Amylaldehyde
  • BRN 1616304
  • Butyl formal
  • CCRIS 3220
  • EC 203-784-4
  • EINECS 203-784-4
  • FEMA No. 3098
  • FEMA Number 3098
  • HSDB 851
  • n-Pentanal
  • n-Valeraldehyde
  • n-Valeraldehyde (natural)
  • n-Valeric aldehyde
  • NSC 35404
  • Pentanal
  • UNII-B975S3014W
  • Valeral
  • Valeraldehyde
  • Valerianic aldehyde
  • Valeric acid aldehyde
  • Valeric aldehyde
  • Valeryl aldehyde
  • Valerylaldehyde

Systematic Names

  • Pentanal
  • Valeraldehyde

Superlist Names

  • n-Valeraldehyde
  • Pentanal
  • Pentyl aldehyde
  • UN2058
  • Valeraldehyde
  • Valeraldehyde [UN2058] [Flammable liquid]

Registry Numbers

CAS Registry Number

  • 110-62-3

FDA UNII

  • B975S3014W

System Generated Number

  • 0000110623

Structure Descriptors

InChI

1S/C5H10O/c1-2-3-4-5-6/h5H,2-4H2,1H3

InChIKey

HGBOYTHUEUWSSQ-UHFFFAOYSA-N

Smiles

C(CC=O)CC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LD50 skin 20gm/kg (20000mg/kg)   Food and Cosmetics Toxicology. Vol. 17, Pg. 919, 1979.
mouse LD50 intraperitoneal 200mg/kg (200mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: ATAXIA

BEHAVIORAL: MUSCLE WEAKNESS
National Technical Information Service. Vol. OTS0533619,
mouse LD50 oral 6400mg/kg (6400mg/kg)   Food and Cosmetics Toxicology. Vol. 17, Pg. 919, 1979.
mouse LDLo subcutaneous 2gm/kg (2000mg/kg)   Annales Pharmaceutiques Francaises. Vol. 14, Pg. 710, 1956.
rabbit LD50 skin 5mL/kg (5mL/kg) SKIN AND APPENDAGES (SKIN): "DERMATITIS, OTHER: AFTER SYSTEMIC EXPOSURE" National Technical Information Service. Vol. OTS0535072,
rat LCLo inhalation 4000ppm/4H (4000ppm)   American Industrial Hygiene Association Journal. Vol. 30, Pg. 470, 1969.
rat LD50 intraperitoneal 400mg/kg (400mg/kg) BEHAVIORAL: ATAXIA

BEHAVIORAL: MUSCLE WEAKNESS
National Technical Information Service. Vol. OTS0533619,
rat LD50 oral 5660uL/kg (5.66mL/kg)   American Industrial Hygiene Association Journal. Vol. 30, Pg. 470, 1969.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -9.15E+01 deg C   EXP
Boiling Point 103 deg C   EXP
log P (octanol-water) 1.310 (none)   EST
Water Solubility 1.17E+04 mg/L 25 EXP
Vapor Pressure 26 mm Hg 20 EXP
Henry's Law Constant 1.47E-04 atm-m3/mole 25 EXP
Atmospheric OH Rate Constant 2.85E-11 cm3/molecule-sec 25 EXP

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