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Substance Name: 3-Ethyl-2-hydroxyheptanoic acid
RN: 63834-30-0
UNII: E807394JWO
InChIKey: DJDGGSPGQFGVMX-UHFFFAOYSA-N

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C9-H18-O3

Molecular Weight

  • 174.238
 
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Names and Synonyms

Name of Substance

  • 3-Ethyl-2-hydroxyheptanoic acid

Synonyms

  • 2-Hydroxy-3-ethylheptanoic acid
  • 3-Ethyl-2-hydroxyheptanoic acid
  • Kyselina 2-hydroxy-3-ethylheptanova
  • Kyselina 2-hydroxy-3-ethylheptanova [Czech]
  • UNII-E807394JWO

Systematic Name

  • Heptanoic acid, 3-ethyl-2-hydroxy-

Registry Numbers

CAS Registry Number

  • 63834-30-0

FDA UNII

  • E807394JWO

System Generated Number

  • 0063834300

Structure Descriptors

InChI

1S/C9H18O3/c1-3-5-6-7(4-2)8(10)9(11)12/h7-8,10H,3-6H2,1-2H3,(H,11,12)

InChIKey

DJDGGSPGQFGVMX-UHFFFAOYSA-N

Smiles

C([C@@H]([C@@H](C(O)=O)O)CC)CCC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin 1780uL/kg (1.78mL/kg)   American Industrial Hygiene Association Journal. Vol. 23, Pg. 95, 1962.
rat LD50 oral 3400mg/kg (3400mg/kg)   American Industrial Hygiene Association Journal. Vol. 23, Pg. 95, 1962.