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Substance Name: 3,7-Dimethyl-1,6-octadien-3-yl propionate
RN: 144-39-8
UNII: BI845A018T
InChIKey: WAQIIHCCEMGYKP-UHFFFAOYSA-N

Molecular Formula

  • C13-H22-O2

Molecular Weight

  • 210.315
 
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Names and Synonyms

Name of Substance

  • 3,7-Dimethyl-1,6-octadien-3-yl propionate

Synonyms

  • 1,6-Octadien-3-ol, 3,7-dimethyl-, propanoate
  • 1,6-Octadien-3-ol, 3,7-dimethyl-, propionate
  • 3,7-Dimethyl-1,6-octadien-3-ol propanoate
  • 3,7-Dimethyl-1,6-octadien-3-yl propanoate
  • 3,7-Dimethyl-1,6-octadien-3-yl propionate
  • AI3-24353
  • EINECS 205-627-5
  • EINECS 305-130-4
  • FEMA No. 2645
  • Linalool propionate
  • Linalyl propanoate
  • Linalyl propionate
  • NSC 46139
  • Propionic acid, linalyl ester (6CI)
  • UNII-BI845A018T

Systematic Names

  • (1)-1,5-Dimethyl-1-vinylhex-4-enyl propionate
  • 1,6-Octadien-3-ol, 3,7-dimethyl-, 3-propanoate
  • 1,6-Octadien-3-ol, 3,7-dimethyl-, propanoate
  • 1,6-Octadien-3-ol, 3,7-dimethyl-, propionate (7CI,8CI)
  • Linalyl propionate

Superlist Name

  • Linalyl propionate

Registry Numbers

CAS Registry Number

  • 144-39-8

FDA UNII

  • BI845A018T

Other Registry Number

  • 94346-06-2

System Generated Number

  • 0000144398

Structure Descriptors

InChI

1S/C13H22O2/c1-6-12(14)15-13(5,7-2)10-8-9-11(3)4/h7,9H,2,6,8,10H2,1,3-5H3

InChIKey

WAQIIHCCEMGYKP-UHFFFAOYSA-N

Smiles

O([C@@](CC\C=C(\C)C)(C=C)C)C(CC)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin > 5gm/kg (5000mg/kg)   Food and Cosmetics Toxicology. Vol. 13, Pg. 839, 1975.
rat LD50 oral > 5gm/kg (5000mg/kg)   Food and Cosmetics Toxicology. Vol. 13, Pg. 839, 1975.