Molecular properties
- Formula
- C40H56
- Molar mass
- 536.90 g·mol−1
- Exact mass
- 536.4382 Da
- 13
- 0
- 0
- 0.00 Ų
- 13.5 (PubChem computed XLogP3-AA descriptor)
- CAS
- 7235-40-7
- PubChem CID
- 5280489
Molecule record
beta-carotene
C40H56
536.90 g/mol
Interactions
- Polarity
- Often weakly polar or nonpolar unless other structural features dominate.
- Acid-base behavior
- Review ionizable groups and pKa data where available; ChemForge does not infer definitive acid-base state from identity alone.
- Intermolecular forces
- Assess dispersion, dipole interactions, hydrogen bonding, and ionic character from the functional groups shown.
Functional groups
Alkene
Aromatic ring
Physical properties
| Property | Value | Conditions | Source |
|---|---|---|---|
| Logp | 13.5 | PubChem computed XLogP3-AA descriptor | PubChem(link only) |
Common names and synonyms
- 7235-40-7
- BetaVit
- Betacaroteno
- Betacarotenum
- C.I. Food Orange 5
- CI Food Orange 5
- Carotaben
- Food orange 5
Show all 21 synonyms
- KPMK
- Karotin
- Lucaratin
- Natural Yellow 26
- Provatene
- Provatenol
- Serlabo
- Solatene
- Solatene (caps)
- Zlut prirodni 26
- all-trans-beta-Carotene
- beta,beta-Carotene
- beta-Karotin
Structure identifiers
- Canonical SMILES
- CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C2=C(CCCC2(C)C)C)\C)\C)/C)/C
- Isomeric SMILES
- CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C2=C(CCCC2(C)C)C)\C)\C)/C)/C
- 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
- OENHQHLEOONYIE-JLTXGRSLSA-N
- PubChem CID
- 5280489
Spectroscopy
Tabs appear only for spectra stored with clear provenance.
Simulated FTIR trace
Predicted FTIR / %T
4 cm-1 resolution / deterministic instrument profile
Hover for cursor
Peak assignments
1645 cm−1C=C alkene (simulated)
3030 cm−1aromatic C-H (simulated)
1600 cm−1aromatic C=C (simulated)
2960 cm−1sp3 C-H (simulated)
Simulated NMR
On-demand educational prediction for beta-carotene; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for beta-carotene; not experimental data.
Sources
Molecule identity
Retrieved 8/7/2026. Reuse status is summarized by the badge; open the source for full details.
simulated IR
ChemForge original educational simulation.