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Substance Name: n-Butyl lactate
RN: 138-22-7
UNII: 0UI63W814U
InChIKey: MRABAEUHTLLEML-UHFFFAOYSA-N

Molecular Formula

  • C7-H14-O3

Molecular Weight

  • 146.1846
 

Classification Codes

Classification Code

  • Skin / Eye Irritant

Superlist Classification Code

  • TWA (5 ppm)
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Names and Synonyms

Name of Substance

  • n-Butyl lactate

Synonyms

  • (+/-)-Butyl lactate
  • 2-Hydroxypropanoic acid butyl ester
  • 4-03-00-00649 (Beilstein Handbook Reference)
  • AI3-00397
  • BRN 1721597
  • Butyl 2-hydroxypropanoate
  • Butyl alpha-hydroxypropionate
  • Butyl lactate
  • Butyl lactate (natural)
  • Butylester kyseliny mlecne
  • Butylester kyseliny mlecne [Czech]
  • EINECS 205-316-4
  • FEMA No. 2205
  • HSDB 7905
  • n-Butyl lactate
  • NSC 6533
  • UNII-0UI63W814U

Systematic Names

  • Butyl lactate
  • Lactic acid, butyl ester
  • Propanoic acid, 2-hydroxy-, butyl ester

Superlist Names

  • Butyl lactate
  • n-Butyl lactate
  • Propanoic acid, 2-hydroxy-, butyl ester

Registry Numbers

CAS Registry Number

  • 138-22-7

FDA UNII

  • 0UI63W814U

Other Registry Numbers

  • 126872-21-7
  • 1550972-44-5
  • 545436-03-1

System Generated Number

  • 0000138227

Structure Descriptors

InChI

1S/C7H14O3/c1-3-4-5-10-7(9)6(2)8/h6,8H,3-5H2,1-2H3

InChIKey

MRABAEUHTLLEML-UHFFFAOYSA-N

Smiles

C(=O)(OCCCC)C(C)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo subcutaneous 11gm/kg (11000mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

LUNGS, THORAX, OR RESPIRATION: DYSPNEA

PERIPHERAL NERVE AND SENSATION: FLACCID PARALYSIS WITHOUT ANESTHESIA (USUALLY NEUROMUSCULAR BLOCKAGE)
Food and Cosmetics Toxicology. Vol. 17, Pg. 727, 1979.
rabbit LD50 oral > 5gm/kg (5000mg/kg)   International Journal of Toxicology. Vol. 17(Suppl,
rabbit LD50 skin > 5gm/kg (5000mg/kg)   Food and Cosmetics Toxicology. Vol. 17, Pg. 727, 1979.
rat LD50 oral > 5gm/kg (5000mg/kg)   Food and Cosmetics Toxicology. Vol. 17, Pg. 727, 1979.
rat LD50 subcutaneous 12gm/kg (12000mg/kg)   Raw Material Data Handbook, Vol.1: Organic Solvents, 1974. Vol. 1, Pg. 15, 1974.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -2.80E+01 deg C   EXP
Boiling Point 186 deg C   EXP
log P (octanol-water) 0.800 (none)   EST
Water Solubility 4.00E+04 mg/L 20 EXP
Vapor Pressure 0.4 mm Hg 20 EXP
Henry's Law Constant 1.92E-06 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 6.98E-12 cm3/molecule-sec 25 EST

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