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Petrolatum(CAS No. 8009-03-8)

Identification and Related Records

【Name】
Petrolatum
【CAS Registry number】
8009-03-8
【Synonyms】
Petroleum Jelly White
【EINECS(EC#)】
232-315-6
【Molecular Formula】
C40H62O6 (Products with the same molecular formula)
【Molecular Weight】
0
【Inchi】
InChI=1S/C40H62O6/c1-37(2,3)29-23-27(24-30(35(29)43)38(4,5)6)17-19-33(41)45-21-15-13-14-16-22-46-34(42)20-18-28-25-31(39(7,8)9)36(44)32(26-28)40(10,11)12/h23-26,43-44H,13-22H2,1-12H3
【Canonical SMILES】
CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CCC(=O)OCCCCCCOC(=O)CCC2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C

Chemical and Physical Properties

【Appearance】
clear to white solid
【Density】
0.84
【Melting Point】
70-80 °C ((ASTM D 127))
【Boiling Point】
322 °C
【Refractive Index】
n20/D 1.45
【Flash Point】
198 °C
【Solubilities】
insoluble in water
【Color/Form】
white
【Stability】
Stable. Combustible. Incompatible with strong oxidizing agents.
【Computed Properties】
Molecular Weight:638.91668 [g/mol]
Molecular Formula:C40H62O6
XLogP3-AA:11.2
H-Bond Donor:2
H-Bond Acceptor:6
Rotatable Bond Count:19
Tautomer Count:3
Exact Mass:638.45464
MonoIsotopic Mass:638.45464
Topological Polar Surface Area:93.1
Heavy Atom Count:46
Formal Charge:0
Complexity:805
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1

Safety and Handling

【Hazard Codes】
T:有毒物质;
【Risk Statements】
R45
【Safety Statements 】
S24;S25

Supplier Location

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