chempirical

Beta-carotene

C40H56CAS 7235-40-7536.89 g/mol

Open in Covalent MOL file
Alkene

Properties

Molecular formula
C40H56
Molar mass
536.89 g/mol
Exact mass
536.4382 Da
Density
1 g/mL (at 20 °C)
Melting point
183 °C
logP
12.61Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
10
Double bonds
E, E, E, E, E, E, E, E, EE/Z, in SMILES order

Hazards

Not classified as hazardous under GHS by 368 ECHA notifiers. Aggregated from 368 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number
7235-40-7
SMILES
CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)CCCC2(C)C)C(C)(C)CCC1
InChIKey
OENHQHLEOONYIE-JLTXGRSLSA-N
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+

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

32 names · show all
  • β-Carotene
  • β,β-Carotene
  • β-Carotene, all-trans-
  • 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
  • Serlabo
  • (All-E)-1,1′-(3,7,12,16-Tetramethyl-1,3,5,7,9,11,13,15,17-octadecanonaene-1,18-diyl)bis[2,6,6-trimethylcyclohexene]
  • KPMK
  • All-E-β-Carotene
  • C.I. Food orange 5
  • Betacarotene
  • Food orange 5
  • Provatenol
  • Rovimix β-carotene
  • Lucarotin
  • Lucaratin
  • Solatene
  • Provatene
  • BetaVit
  • Carotaben
  • NSC 62794
  • Carotene base 80S
  • Lurotin
  • C.I. 40800
  • Lucarotin 10CWD/O
  • CoroCare
  • Lucarotin 30SUN
  • Caroten base 35468
  • Carofertin
  • Lucarotin 20MCT
  • Carotene base 80
  • Carotene base 80SV

Work with Beta-carotene

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Retinal116-31-482 % similar Vitamin A11103-57-478 % similar Retinol68-26-878 % similar Retinoic acid302-79-473 % similar Isotretinoin4759-48-273 % similar 9-cis-Retinoic acid5300-03-873 % similar Retinyl acetate127-47-968 % similar Retinyl retinoate15498-86-965 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Lycopene502-65-8 α-Carotene7488-99-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia