Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Pentaerythritol
RN: 115-77-5
UNII: SU420W1S6N
InChIKey: WXZMFSXDPGVJKK-UHFFFAOYSA-N

Classification Codes

  • TWA (15 mg/m3 total dust; 5 mg/m3 respirable fraction)
  • TWA 10 mg/m3

Molecular Formula

  • C5-H12-O4

Molecular Weight

  • 136.146
 

Names and Synonyms

Name of Substance

  • Pentaerythritol

Synonyms

  • 1,3-Propanediol, 2,2-bis(hydroxymethyl)-
  • 2,2-Bis(hydroxymethyl)-1,3-propanediol
  • 4-01-00-02812 (Beilstein Handbook Reference)
  • AI3-19571
  • Auxinutril
  • BRN 1679274
  • CCRIS 2306
  • EC 204-104-9
  • EINECS 204-104-9
  • Hercules P6
  • HSDB 872
  • Maxinutril
  • Metab-Auxil
  • Methane tetramethylol
  • Monopentaerythritol
  • Monopentek
  • NSC 8100
  • PE 200
  • Penetek
  • Pentaerythrite
  • Pentaerythritol
  • Pentek
  • Tetrahydroxymethylmethane
  • Tetrakis(hydroxymethyl)methane
  • Tetramethylolmethane
  • UNII-SU420W1S6N

Systematic Names

  • 1,3-Propanediol, 2,2-bis(hydroxymethyl)-
  • 2,2-Bis(hydroxymethyl)-1,3-propanediol
  • Pentaerythritol

Superlist Names

  • 1,3-Propanediol, 2,2-bis(hydroxymethyl)-
  • Pentaerythritol

Registry Numbers

CAS Registry Number

  • 115-77-5

FDA UNII

  • SU420W1S6N

Other Registry Numbers

  • 1889241-87-5
  • 2014337-56-3
  • 75398-86-6
  • 88201-29-0

System Generated Number

  • 0000115775

Structure Descriptors

InChI

1S/C5H12O4/c6-1-5(2-7,3-8)4-9/h6-9H,1-4H2

InChIKey

WXZMFSXDPGVJKK-UHFFFAOYSA-N

Smiles

C(CO)(CO)(CO)CO

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LD50 oral 11300mg/kg (11300mg/kg) BEHAVIORAL: TREMOR

BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)

BEHAVIORAL: ATAXIA
Toxicology and Applied Pharmacology. Vol. 6, Pg. 351, 1964.
mouse LD50 oral 25500mg/kg (25500mg/kg) BEHAVIORAL: ATAXIA

BEHAVIORAL: TREMOR

BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)
Toxicology and Applied Pharmacology. Vol. 6, Pg. 351, 1964.
rabbit LD50 oral 18500mg/kg (18500mg/kg) BEHAVIORAL: GENERAL ANESTHETIC

GASTROINTESTINAL: ULCERATION OR BLEEDING FROM STOMACH

LIVER: OTHER CHANGES
Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 36(2), Pg. 25, 1971.
rat LC inhalation > 11gm/m3/6H (11000mg/m3)   Toxicology and Applied Pharmacology. Vol. 6, Pg. 351, 1964.
rat LD50 oral 19500mg/kg (19500mg/kg) LIVER: OTHER CHANGES

BEHAVIORAL: GENERAL ANESTHETIC

GASTROINTESTINAL: ULCERATION OR BLEEDING FROM STOMACH
Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 36(2), Pg. 25, 1971.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 260 deg C   EXP
pKa Dissociation Constant 14.1 (none)   EXP
log P (octanol-water) -1.69E+00 (none)   EXP
Water Solubility 7.23E+04 mg/L 25 EXP
Henry's Law Constant 4.10E-10 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.48E-11 cm3/molecule-sec 25 EST

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