Phylloquinone

CAS Registry Number®

84-80-0

CAS Name

Phylloquinone

Molecular Formula

C31H46O2

Molecular Mass

450.70

Cite this Page

Phylloquinone.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=10485-69-5 (retrieved 2024-11-25) (CAS RN: 84-80-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    140-145 °C @ Press: 1 x 10-3 Torr

  • Melting Point (1)

    -20 °C

  • Density (1)

    0.964 g/cm³ @ Temp: 25 °C

Source(s)

  • (1) Hazardous Substances Data Bank data were obtained from the National Library of Medicine (US)

Other Names and Identifiers

InChI

InChI=1S/C31H46O2/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-27-26(6)30(32)28-18-7-8-19-29(28)31(27)33/h7-8,18-20,22-24H,9-17,21H2,1-6H3/b25-20+/t23-,24-/m1/s1

InChIKey

InChIKey=MBWXNTAXLNYFJB-NKFFZRIASA-N

SMILES

O=C1C=2C(C(=O)C(C)=C1C/C=C(/CCC[C@@H](CCC[C@@H](CCCC(C)C)C)C)\C)=CC=CC2

Canonical SMILES

O=C1C=2C=CC=CC2C(=O)C(=C1C)CC=C(C)CCCC(C)CCCC(C)CCCC(C)C

Other Names for this Substance

  • 1,4-Naphthalenedione, 2-methyl-3-[(2E,7R,11R)-3,7,11,15-tetramethyl-2-hexadecen-1-yl]-
  • Phylloquinone
  • 1,4-Naphthalenedione, 2-methyl-3-(3,7,11,15-tetramethyl-2-hexadecenyl)-, [R-[R*,R*-(E)]]-
  • 1,4-Naphthalenedione, 2-methyl-3-[(2E,7R,11R)-3,7,11,15-tetramethyl-2-hexadecenyl]-
  • 2-Methyl-3-[(2E,7R,11R)-3,7,11,15-tetramethyl-2-hexadecen-1-yl]-1,4-naphthalenedione

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Deleted or Replaced CAS Registry Numbers

10485-69-5, 15973-57-6, 50926-17-5

CAS INSIGHTSTM
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