Cas no 54783-68-5 (b,b-Carotene, 2,2'-dimethyl-, (2R,2'R)- (9CI))
54783-68-5 structure
Product Name:b,b-Carotene, 2,2'-dimethyl-, (2R,2'R)- (9CI)
CAS No:54783-68-5
MF:C42H60
MW:564.925812721252
CID:375881
PubChem ID:6438489
Update Time:2025-04-19
b,b-Carotene, 2,2'-dimethyl-, (2R,2'R)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- b,b-Carotene, 2,2'-dimethyl-, (2R,2'R)- (9CI)
- 1,3,3,4-tetramethyl-2-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,5,6,6-tetramethylcyclohexen-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohexene
- 5,5-dimethyl-beta-carotene
- 54783-68-5
- Dimethyl-beta-carotene
- beta,beta-Carotene, 2,2'-dimethyl-, (2R,2'R)-
-
- Inchi： 1S/C42H60/c1-31(19-15-21-33(3)23-29-39-35(5)25-27-37(7)41(39,9)10)17-13-14-18-32(2)20-16-22-34(4)24-30-40-36(6)26-28-38(8)42(40,11)12/h13-24,29-30,37-38H,25-28H2,1-12H3/b14-13+,19-15+,20-16+,29-23+,30-24+,31-17+,32-18+,33-21+,34-22+
- InChI Key： UUGAAKPXTFIHGP-XLBBLVADSA-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)CCC(C)C2(C)C)/C)/C)=C(C)CCC1C
Computed Properties
- Exact Mass: 564.469502
- Monoisotopic Mass: 564.469502
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 42
- Rotatable Bond Count: 10
- Complexity: 1180
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 9
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 0
- XLogP3: 14.1
Experimental Properties
- Density: 0.925
- Boiling Point: 666.7°C at 760 mmHg
- Flash Point: 355.5°C
- Refractive Index: 1.553
b,b-Carotene, 2,2'-dimethyl-, (2R,2'R)- (9CI) Related Literature
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Goonay Yousefalizadeh,Shideh Ahmadi,Nicholas J. Mosey,Kevin G. Stamplecoskie Nanoscale, 2021,13, 242-252
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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