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Substance Name: Phytyl acetate
RN: 10236-16-5
UNII: 5YJX2M386O
InChIKey: JIGCTXHIECXYRJ-ILWBRPEASA-N

Molecular Formula

  • C22-H42-O2

Molecular Weight

  • 338.5718
 
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Names and Synonyms

Results Name

  • Phytyl acetate

Name of Substance

  • Phytyl acetate, (E)-

Synonyms

  • 2-Hexadecen-1-ol, 3,7,11,15-tetramethyl-, acetate, (R-(R*,R*-(E)))-
  • 2-Hexadecen-1-ol,3,7,11,15-tetramethyl-, acetate, (R-(R*,R*-(E)))
  • EINECS 233-565-9
  • Phytyl acetate
  • UNII-5YJX2M386O

Systematic Names

  • (R-(R*,R*-(E)))-3,7,11,15-Tetramethylhexadec-2-enyl acetate
  • 2-Hexadecen-1-ol, 3,7,11,15-tetramethyl-, 1-acetate, (2E,7R,11R)-
  • 2-Hexadecen-1-ol, 3,7,11,15-tetramethyl-, acetate, (2E,7R,11R)-
  • 2-Hexadecen-1-ol, 3,7,11,15-tetramethyl-, acetate, (theta-(theta,theta-(E)))-

Registry Numbers

CAS Registry Number

  • 10236-16-5

FDA UNII

  • 5YJX2M386O

Other Registry Number

  • 5016-86-4

System Generated Number

  • 0010236165

Structure Descriptors

InChI

1S/C22H42O2/c1-18(2)10-7-11-19(3)12-8-13-20(4)14-9-15-21(5)16-17-24-22(6)23/h16,18-20H,7-15,17H2,1-6H3/b21-16+/t19-,20-/m1/s1

InChIKey

JIGCTXHIECXYRJ-ILWBRPEASA-N

Smiles

C[C@@H](CCC[C@@H](C)CCC/C(=C/COC(=O)C)/C)CCCC(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 5gm/kg (5000mg/kg)   United States Patent Document. Vol. #4221810,