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Solanesol(CAS No. 13190-97-1)

Solanesol C45H74O (cas 13190-97-1) Molecular Structure

13190-97-1 Structure

Identification and Related Records

【Name】
Solanesol
【CAS Registry number】
13190-97-1
【Synonyms】
Nicotine (Solanesol)
Nonaisoprenol
2,6,10,14,18,22,26,30,34-Hexatriacontanonaen-1- ol,3,7,11,15,19,23,27,31,35-nonamethyl-,(2E,- 6E,10E,14E,18E,22E,26E,30E)-
75%solanesol
【Molecular Formula】
C45H74O (Products with the same molecular formula)
【Molecular Weight】
631.07
【Inchi】
InChI=1/C45H74O/c1-37(2)19-11-20-38(3)21-12-22-39(4)23-13-24-40(5)25-14-26-41(6)27-15-28-42(7)29-16-30-43(8)31-17-32-44(9)33-18-34-45(10)35-36-46/h19,21,23,25,27,29,31,33,35,46H,11-18,20,22,24,26,28,30,32,34,36H2,1-10H3/b38-21+,39-23+,40-25+,41-27+,42-29+,43-31+,44-33+,45-35+
【Canonical SMILES】
CC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCO)C)C)C)C)C)C)C)C)C
【Isomers smiles】
CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CO)
/C)/C)/C)/C)/C)/C)/C)/C)C
【MOL File】
13190-97-1.mol

Chemical and Physical Properties

【Appearance】
brown waxy solid
【Density】
0.889 g/cm3
【Melting Point】
33℃
【Boiling Point】
685.6 °C at 760 mmHg
【Vapour】
9.21E-22mmHg at 25°C
【Refractive Index】
1.5038 (24 C)
【Flash Point】
130.2 °C
【Solubilities】
Insoluble
【Stability】
Stable, but may be heat sensitive - store cold. Combustible. Incompatible with strong oxidizing agents.
【Storage temp】
?20°C
【Computed Properties】
Molecular Weight:631.06846 [g/mol]
Molecular Formula:C45H74O
XLogP3-AA:15.9
H-Bond Donor:1
H-Bond Acceptor:1
Rotatable Bond Count:25
Exact Mass:630.573967
MonoIsotopic Mass:630.573967
Topological Polar Surface Area:20.2
Heavy Atom Count:46
Formal Charge:0
Complexity:1100
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:8
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1

Safety and Handling

【Specification】

?Solanesol , its cas register number is 13190-97-1. It also can be called 3,7,11,15,19,23,27,31,35-Nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaen-1-ol .

Use and Manufacturing

【Usage】

A high molecular weight isoprenoid alcohol isolated from tobacco leaf

Supplier Location

Top Suppliers

Diamond member Nanjing Bangnuo Biotechnology Co., Ltd.
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Wuhan Haizheng Industry & Trade Development Co. Ltd
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Telephone:86-27-88660577
Shenzhen Simeiquan Biotechnology Co.Ltd
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Telephone:86-20-18102838259

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