Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 2,2,4-Trimethyl-1-pentanol
RN: 123-44-4
UNII: IX60R7GK8R
InChIKey: CWPPDTVYIJETDF-UHFFFAOYSA-N

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C8-H18-O

Molecular Weight

  • 130.229
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • 2,2,4-Trimethyl-1-pentanol

Synonyms

  • 2,2,4-Trimethyl-1-pentanol
  • 2,2,4-Trimethylpentanol
  • 4-01-00-01795 (Beilstein Handbook Reference)
  • AI3-26041
  • BRN 1697386
  • EINECS 204-628-8
  • NSC 35410
  • UNII-IX60R7GK8R

Systematic Names

  • 1-Pentanol, 2,2,4-trimethyl-
  • 2,2,4-Trimethylpentan-1-ol

Registry Numbers

CAS Registry Number

  • 123-44-4

FDA UNII

  • IX60R7GK8R

System Generated Number

  • 0000123444

Structure Descriptors

InChI

1S/C8H18O/c1-7(2)5-8(3,4)6-9/h7,9H,5-6H2,1-4H3

InChIKey

CWPPDTVYIJETDF-UHFFFAOYSA-N

Smiles

C(C(CO)(C)C)C(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin 2830uL/kg (2.83mL/kg) GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

KIDNEY, URETER, AND BLADDER: OTHER CHANGES IN URINE COMPOSITION
Acute Toxicity Data. Journal of the American College of Toxicology, Part B. Vol. 1, Pg. 194, 1992.
rat LD50 oral 2140uL/kg (2.14mL/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

SENSE ORGANS AND SPECIAL SENSES: PTOSIS: EYE

BEHAVIORAL: ATAXIA
Acute Toxicity Data. Journal of the American College of Toxicology, Part B. Vol. 1, Pg. 194, 1992.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 2.620 (none)   EST
Water Solubility 1720 mg/L 25 EST
Vapor Pressure 0.496 mm Hg 25 EST
Henry's Law Constant 3.10E-05 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 8.63E-12 cm3/molecule-sec 25 EST

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