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Substance Name: alpha-Carotene
RN: 7488-99-5
UNII: 45XWE1Z69V
InChIKey: ANVAOWXLWRTKGA-NTXLUARGSA-N

Molecular Formula

  • C40-H56

Molecular Weight

  • 536.8824
 
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Names and Synonyms

Name of Substance

  • alpha-Carotene

Synonyms

  • (+)-alpha-Carotene
  • (6'R)-beta,epsilon-Carotene
  • all-trans-alpha-Carotene
  • alpha-Carotene (natural)
  • CCRIS 6294
  • UNII-45XWE1Z69V

Systematic Names

  • alpha-Carotene
  • beta,epsilon-Carotene, (6'R)-

Registry Numbers

CAS Registry Number

  • 7488-99-5

FDA UNII

  • 45XWE1Z69V

Other Registry Number

  • 24319-81-1

System Generated Number

  • 0007488995

Structure Descriptors

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/h11-14,17-23,25-28,37H,15-16,24,29-30H2,1-10H3/b12-11+,19-13+,20-14+,27-25+,28-26+,31-17+,32-18+,33-21+,34-22+/t37-/m0/s1

InChIKey

ANVAOWXLWRTKGA-NTXLUARGSA-N

Smiles

C\C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C)\C=C\C=C(/C)\C=C\[C@H]2C(=CCCC2(C)C)C

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 187.5 deg C   EXP
log P (octanol-water) 17.49 (none)   EST
Atmospheric OH Rate Constant 7.30E-10 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.