β-Carotene

CAS Registry Number®

7235-40-7
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CAS Name

β-Carotene

Molecular Formula

C40H56

Molecular Mass

536.87

Cite this Page

β-Carotene.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=7235-40-7 (retrieved 2024-07-16) (CAS RN: 7235-40-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    183 °C
  • Density (2)

    1.00 g/cm³ @ Temp: 20 °C

Source(s)

  • (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)
  • (2) Hazardous Substances Data Bank data were obtained from the National Library of Medicine (US)

Other Names and Identifiers

InChI

InChI=1S/C40H56/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38-36(6)24-16-30-40(38,9)10/h11-14,17-22,25-28H,15-16,23-24,29-30H2,1-10H3/b12-11+,19-13+,20-14+,27-25+,28-26+,31-17+,32-18+,33-21+,34-22+

InChIKey

InChIKey=OENHQHLEOONYIE-JLTXGRSLSA-N

SMILES

C(=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C=1C(C)(C)CCCC1C)\C)\C)/C)/C)\C=2C(C)(C)CCCC2C

Canonical SMILES

C(=CC=C(C=CC=C(C=CC1=C(C)CCCC1(C)C)C)C)C=C(C=CC=C(C=CC2=C(C)CCCC2(C)C)C)C

Other Names for this Substance

  • β,β-Carotene
  • β-Carotene, all-trans-
  • β-Carotene
  • Cyclohexene, 1,1′-(3,7,12,16-tetramethyl-1,3,5,7,9,11,13,15,17-octadecanonaene-1,18-diyl)bis[2,6,6-trimethyl-, (all-E)-
  • all-trans-β-Carotene

Deleted or Replaced CAS Registry Numbers

116-32-5, 31797-85-0, 2321332-51-6, 2519474-91-8