β Carotene
- Formula: C40H56
- Molecular weight: 536.8726
- IUPAC Standard 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+
- IUPAC Standard InChIKey: OENHQHLEOONYIE-JLTXGRSLSA-N
- CAS Registry Number: 7235-40-7
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Other names: β,β-Carotene; β-Carotene, all-trans-; 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)-; trans-β-Carotene; (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); Carotaben; Carotene, β; Solatene; C.I. 75130; Karotin; KPMK; Natural yellow 26; Serlabo; Zlut prirodni 26; all-E-β-Carotene; BetaVit; Lucaratin; Provatene; Provitamin A; beta,beta-Carotene; 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), (all E)-; Betacarotene; C.I. Food Orange 5; Food Orange 5; NSC 62794
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Phase change data
Go To: Top, Gas phase ion energetics data, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: William E. Acree, Jr., James S. Chickos
Enthalpy of fusion
| ΔfusH (kJ/mol) | Temperature (K) | Reference |
|---|---|---|
| 56.0 | 456. | Treszczanowicz, Kasprzycka-Guttman, et al., 2003 |
Gas phase ion energetics data
Go To: Top, Phase change data, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
View reactions leading to C40H56+ (ion structure unspecified)
Ionization energy determinations
| IE (eV) | Method | Reference |
|---|---|---|
| 6.5 | PE | Dougherty, Younathan, et al., 1978 |
Appearance energy determinations
| Ion | AE (eV) | Other Products | Method | Reference | Comment |
|---|---|---|---|---|---|
| C40H56+ | 6.4 ± 0.2 | ? | LE | Nakato, Chiyoda, et al., 1974 |
References
Go To: Top, Phase change data, Gas phase ion energetics data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Treszczanowicz, Kasprzycka-Guttman, et al., 2003
Treszczanowicz, Teresa; Kasprzycka-Guttman, Teresa; Treszczanowicz, Andrzej J.,
Solubility of β-Carotene in Binary Solvents Formed by Some Hydrocarbons with Dibutyl Ether and 1,2-Dimethoxyethane,
J. Chem. Eng. Data, 2003, 48, 6, 1517-1520, https://doi.org/10.1021/je030165y
. [all data]
Dougherty, Younathan, et al., 1978
Dougherty, D.; Younathan, E.S.; Voll, R.; Abdulnur, S.; McGlynn, S.P.,
Photoelectron spectroscopy of some biological molecules,
J. Electron Spectrosc. Relat. Phenom., 1978, 13, 379. [all data]
Nakato, Chiyoda, et al., 1974
Nakato, Y.; Chiyoda, T.; Tsubomura, H.,
Experimental determination of ionization potentials of organic amines, β-carotene and chlorophyll a,
Bull. Chem. Soc. Jpn., 1974, 47, 3001. [all data]
Notes
Go To: Top, Phase change data, Gas phase ion energetics data, References
- Symbols used in this document:
AE Appearance energy ΔfusH Enthalpy of fusion - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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