Cas no 116-32-5 (beta-Carotene)
beta-Carotene structure
Product Name:beta-Carotene
CAS No:116-32-5
MF:C40H56
MW:536.872652053833
CID:894862
Update Time:2023-08-02
beta-Carotene Chemical and Physical Properties
Names and Identifiers
-
- BETA-CAROTENE
- FOOD ORANGE 5, CI 40800
- CI 40800
- beta Carotene
- beta,beta-Carotene
- Provitamin A
- Betacarotene
- Solatene
- Carotaben
- Provatene
- all-trans-beta-Carotene
- Serlabo
- Natural Yellow 26
- KPMK
- Karotin
- beta-Karotin
- C.I. Food Orange 5
- Solatene (caps)
- .beta.-Carotene
- Karotin [Czech]
- Food orange 5
- Zlut prirodni 26
- Betacarotenum [Latin]
- Betacaroteno [Spanish]
- Lucaratin
- BetaVit
- beta-Carotin
- beta;-Carotene
- b,b-Carotene
- beta-Carotene, all-trans-
- .beta. Carotene
- Betacarotenum [INN-Latin]
- C.I. 75130
- Betacaroteno [INN-Spanish]
- Zlut
- beta-Carotene
-
- 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+
- InChI Key： OENHQHLEOONYIE-JLTXGRSLSA-N
- SMILES： C1(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(C)CCC1
Computed Properties
- Exact Mass: 536.438202g/mol
- Monoisotopic Mass: 536.438202g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 40
- Rotatable Bond Count: 10
- Complexity: 1120
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 9
- Undefined Bond Stereocenter Count: 0
- XLogP3: 13.5
- Topological Polar Surface Area: 0
- Molecular Weight: 536.9g/mol
Experimental Properties
- Color/Form: Deep purple, hexagonal prisms from benzene and methanol
- Density: 1.00 at 20 °C/20 °C
- Melting Point: 176-184oC
- Boiling Point: 633-577oC
- Solubility: 0.0006g/l at 25oC
- LogP: 17.62
- Vapor Pressure: 1.8X10-11 mm Hg at 25 °C (est)
beta-Carotene Related Literature
-
Piotr Szcze?niak,Sebastian Stecko RSC Adv., 2015,5, 30882-30888
-
M. Sheykhan,S. Khani,S. Shaabanzadeh,M. Joafshan Green Chem., 2017,19, 5940-5948
-
Cheng Fang,Jinjian Wu,Zahra Sobhani,Md. Al Amin,Youhong Tang Anal. Methods, 2019,11, 163-170
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