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Substance Name: 1,5-Pentanediol
RN: 111-29-5
UNII: 07UXZ0SCST
InChIKey: ALQSHHUCVQOPAS-UHFFFAOYSA-N

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C5-H12-O2

Molecular Weight

  • 104.148
 
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Names and Synonyms

Name of Substance

  • 1,5-Pentanediol

Synonyms

  • 1,5-Dihydroxypentane
  • 1,5-Pentamethylene glycol
  • 1,5-Pentanediol
  • 1,5-Pentylene glycol
  • 4-01-00-02540 (Beilstein Handbook Reference)
  • AI3-03318
  • alpha,omega-Pentanediol
  • BRN 1560130
  • EC 203-854-4
  • EINECS 203-854-4
  • NSC 5927
  • Pentamethylene glycol
  • Pentane-1,5-diol
  • Pentylene glycol
  • UNII-07UXZ0SCST

Systematic Names

  • 1,5-Pentanediol
  • Pentane-1,5-diol

Registry Numbers

CAS Registry Number

  • 111-29-5

FDA UNII

  • 07UXZ0SCST

System Generated Number

  • 0000111295

Structure Descriptors

InChI

1S/C5H12O2/c6-4-2-1-3-5-7/h6-7H,1-5H2

InChIKey

ALQSHHUCVQOPAS-UHFFFAOYSA-N

Smiles

C(CCO)CCO

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LD50 oral 4600mg/kg (4600mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: EXCITEMENT

BEHAVIORAL: MUSCLE WEAKNESS
Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 38(9), Pg. 14, 1973.
mouse LD50 intraperitoneal 2250mg/kg (2250mg/kg)   Toxicology and Applied Pharmacology. Vol. 49, Pg. 385, 1979.
mouse LD50 oral 6300mg/kg (6300mg/kg) BEHAVIORAL: MUSCLE WEAKNESS

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: EXCITEMENT
Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 38(9), Pg. 14, 1973.
rabbit LD50 oral 6300mg/kg (6300mg/kg) BEHAVIORAL: MUSCLE WEAKNESS

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: EXCITEMENT
Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 38(9), Pg. 14, 1973.
rabbit LD50 skin > 20mL/kg (20mL/kg)   Union Carbide Data Sheet. Vol. 5/22/1959,
rat LD50 oral 2gm/kg (2000mg/kg)   Journal of Agricultural and Food Chemistry. Vol. 23, Pg. 418, 1975.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -1.80E+01 deg C   EXP
Boiling Point 239 deg C   EXP
log P (octanol-water) 0.270 (none)   EST
Water Solubility 6.63E+04 mg/L 25 EST
Vapor Pressure 0.0039 mm Hg 25 EXP
Henry's Law Constant 3.06E-07 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.26E-11 cm3/molecule-sec 25 EST

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