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Substance Name: 2,4-Pentanediol, 2-methyl-, 2,4-diacetate
RN: 1637-24-7
InChIKey: PTPLKZHLDXVIBT-UHFFFAOYSA-N

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C10-H18-O4

Molecular Weight

  • 202.248
 
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Names and Synonyms

Synonyms

  • 2,4-Pentanediol, 2-methyl-, diacetate
  • 2-Methyl-2,4-pentanediol diacetate
  • 2-Methyl-2,4-pentanediol, diacetate
  • 3-02-00-00321 (Beilstein Handbook Reference)
  • Acetic acid, 2-methyl-2,4-pentanediol diester
  • Acetic acid, hexylene glycol
  • AI3-32415
  • BRN 1708624
  • EINECS 216-667-8
  • NSC 50325

Systematic Names

  • 2,4-Pentanediol, 2-methyl-, 2,4-diacetate
  • 2,4-Pentanediol, 2-methyl-, diacetate
  • 2-Methylpentane-2,4-diyl diacetate

Registry Numbers

CAS Registry Number

  • 1637-24-7

System Generated Number

  • 0001637247

Structure Descriptors

InChI

1S/C10H18O4/c1-7(13-8(2)11)6-10(4,5)14-9(3)12/h7H,6H2,1-5H3

InChIKey

PTPLKZHLDXVIBT-UHFFFAOYSA-N

Smiles

C(OC(=O)C)(C[C@@H](OC(=O)C)C)(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin 16mL/kg (16mL/kg)   American Industrial Hygiene Association Journal. Vol. 30, Pg. 470, 1969.
rat LD50 oral 3360uL/kg (3.36mL/kg)   American Industrial Hygiene Association Journal. Vol. 30, Pg. 470, 1969.