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Substance Name: 5-Methyl-3-butyltetrahydropyran-4-yl acetate
RN: 38285-49-3
InChIKey: XWNKVSFNBVIKJB-UHFFFAOYSA-N

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C12-H22-O3

Molecular Weight

  • 214.303
 
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Names and Synonyms

Name of Substance

  • 5-Methyl-3-butyltetrahydropyran-4-yl acetate

Synonyms

  • 3-Butyl-5-methyl-tetrahydro-2H-pyran-4-yl acetate
  • 5-Methyl-3-butyltetrahydropyran-4-yl acetate
  • Acetic acid, 3-butyl-5-methyl-tetrahydro-2H-pyran-4-yl ester
  • EINECS 253-863-2
  • Tetrahydro-2H-pyran-4-ol, 3-butyl-5-methyl-, acetate

Systematic Names

  • 2H-Pyran-4-ol, 3-butyltetrahydro-5-methyl-, acetate
  • 2H-Pyran-4-ol, tetrahydro-3-butyl-5-methyl-, acetate
  • 3-Butyltetrahydro-5-methyl-2H-pyran-4-yl acetate
  • Pentitol, 1,5-anhydro-2-butyl-2,4-dideoxy-4-methyl-, 3-acetate

Registry Numbers

CAS Registry Number

  • 38285-49-3

System Generated Number

  • 0038285493

Structure Descriptors

InChI

1S/C12H22O3/c1-4-5-6-11-8-14-7-9(2)12(11)15-10(3)13/h9,11-12H,4-8H2,1-3H3

InChIKey

XWNKVSFNBVIKJB-UHFFFAOYSA-N

Smiles

C1[C@@H]([C@@H]([C@@H](CO1)C)OC(C)=O)CCCC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin > 5gm/kg (5000mg/kg)   Food and Cosmetics Toxicology. Vol. 14, Pg. 601, 1976.
rat LD50 oral > 5gm/kg (5000mg/kg)   Food and Cosmetics Toxicology. Vol. 14, Pg. 601, 1976.