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Substance Name: N-Butyl stearate
RN: 123-95-5
UNII: 6Y0AI5605C
InChIKey: ULBTUVJTXULMLP-UHFFFAOYSA-N

Classification Codes

  • Reproductive Effect
  • Skin / Eye Irritant

Molecular Formula

  • C22-H44-O2

Molecular Weight

  • 340.5876
 
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Names and Synonyms

Name of Substance

  • Butyl stearate
  • n-Butyl octadecanoate
  • n-Butyl stearate
  • Octadecanoic acid, butyl ester

Synonyms

  • 4-02-00-01219 (Beilstein Handbook Reference)
  • AI3-00398
  • APEX 4
  • BRN 1792866
  • BS
  • Butyl octadecanoate
  • Butyl octadecylate
  • Butyl stearate
  • EINECS 204-666-5
  • Emerest 2325
  • Estrex 1B 54, 1B 55
  • FEMA No. 2214
  • FEMA Number 2214
  • Groco 5810
  • HSDB 942
  • Kessco BSC
  • Kesscoflex BS
  • n-Butyl octadecanoate
  • n-Butyl stearate
  • NSC 4820
  • Octadecanoic acid, butyl ester
  • Polycizer 332
  • RC plasticizer B-17
  • Starfol BS-100
  • Stearic acid, butyl ester
  • Tegester butyl stearate
  • Uniflex BYS
  • UNII-6Y0AI5605C
  • Wickenol 122
  • Wilmar butyl stearate
  • Witcizer 200
  • Witcizer 201

Systematic Names

  • Butyl stearate
  • Octadecanoic acid, butyl ester
  • Stearic acid, butyl ester

Superlist Names

  • Butyl stearate
  • Stearic acid, butyl ester

Registry Numbers

CAS Registry Number

  • 123-95-5

FDA UNII

  • 6Y0AI5605C

Other Registry Number

  • 8047-75-4

System Generated Number

  • 0000123955

Structure Descriptors

InChI

InChI=1S/C22H44O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(23)24-21-6-4-2/h3-21H2,1-2H3

InChIKey

ULBTUVJTXULMLP-UHFFFAOYSA-N

Smiles

CCCCCCCCCCCCCCCCCC(=O)OCCCC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 intraperitoneal > 32gm/kg (32000mg/kg)   "Practical Toxicology of Plastics," Lefaux, R., Cleveland, OH, Chemical Rubber Co., 1968Vol. -, Pg. 323, 1968.
rat LD50 oral 32gm/kg (32000mg/kg)   International Polymer Science and Technology. Vol. 3, Pg. 93, 1976.
rat LD50 subcutaneous > 32gm/kg (32000mg/kg)   "Practical Toxicology of Plastics," Lefaux, R., Cleveland, OH, Chemical Rubber Co., 1968Vol. -, Pg. 323, 1968.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 27 deg C   EXP
Boiling Point 343 deg C   EXP
log P (octanol-water) 9.700 (none)   EST
Water Solubility 1700 mg/L 25 EXP
Vapor Pressure 5.80E-06 mm Hg 25 EST
Henry's Law Constant 0.038 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.60E-11 cm3/molecule-sec 25 EST

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