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Substance Name: Aleuritic acid (alpha)
RN: 533-87-9
UNII: 442LQ2K03A
InChIKey: MEHUJCGAYMDLEL-CABCVRRESA-N

Molecular Formula

  • C16-H32-O5

Molecular Weight

  • 304.4238
 
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Names and Synonyms

Name of Substance

  • Aleuritic acid (alpha)

Synonyms

  • (+-)-erythro-Aleuritic acid
  • 3-03-00-00901 (Beilstein Handbook Reference)
  • 8,9,15-Trihydroxypentadecane-1-carboxylic acid
  • AI3-26305
  • Aleuritic acid, tech.
  • alpha-Aleuritic acid
  • BRN 1727724
  • DL-erythro-9,10,16-Trihydroxyhexadecanoic acid
  • DL-erythro-Aleuritic acid
  • EINECS 208-578-8
  • erythro-Aleuritic acid
  • Hexadecanoic acid, 9,10,16-trihydroxy-, erythro-, DL-
  • NSC 7668
  • Synthetic aleuritic acid
  • UNII-442LQ2K03A

Systematic Names

  • alpha-Aleuritic acid
  • Hexadecanoic acid, 9,10,16-trihydroxy-, (9R,10S)-rel-
  • Hexadecanoic acid, 9,10,16-trihydroxy-, (R*,S*)-(+-)-
  • Hexadecanoic acid, 9,10,16-trihydroxy-, (theta,S)-(+/-)-

Registry Numbers

CAS Registry Number

  • 533-87-9

FDA UNII

  • 442LQ2K03A

Other Registry Number

  • 18951-77-4

System Generated Number

  • 0000533879

Structure Descriptors

InChI

1S/C16H32O5/c17-13-9-5-4-7-11-15(19)14(18)10-6-2-1-3-8-12-16(20)21/h14-15,17-19H,1-13H2,(H,20,21)/t14-,15+/m1/s1

InChIKey

MEHUJCGAYMDLEL-CABCVRRESA-N

Smiles

OCCCCCC[C@H](O)[C@H](O)CCCCCCCC(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 178mg/kg (178mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#00691,

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 100.5 deg C   EXP
log P (octanol-water) 2.830 (none)   EST
Atmospheric OH Rate Constant 4.19E-11 cm3/molecule-sec 25 EST

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