Butanoic acid,1-methyl-1,4,7-heptanetriyl ester (9CI) 5453-21-4 CAS NO.5453-21-4

Min.Order: 1 Kilogram
Payment Terms: L/C,T/T,

Product Details

Keywords

Butanoic acid,1-methyl-1,4,7-heptanetriyl ester (9CI)
5453-21-4
98%

Quick Details

ProName: Butanoic acid,1-methyl-1,4,7-heptanetr...
CasNo: 5453-21-4
Molecular Formula: C20H36 O6
Appearance: Solid
Application: Organic Chemicals
DeliveryTime: according to client's demand quantity
PackAge: as requested
Port: SHANGHAI
ProductionCapacity: 1 Metric Ton/Month
Purity: 99%
Storage: room temperature
Transportation: as requested
LimitNum: 1 Kilogram

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Details

【Name】
Butanoic acid,1-methyl-1,4,7-heptanetriyl ester (9CI)
【CAS Registry number】
5453-21-4
【Synonyms】
NSC 18558
【Molecular Formula】
C20H36 O6 (Products with the same molecular formula)
【Molecular Weight】
372.4962
【Inchi】
InChI=1/C20H36O6/c1-5-9-18(21)24-15-8-12-17(26-20(23)11-7-3)14-13-16(4)25-19(22)10-6-2/h16-17H,5-15H2,1-4H3
【Canonical SMILES】
CCCC(=O)OCCCC(CCC(C)OC(=O)CCC)OC(=O)CCC
Chemical and Physical Properties
【Density】
1.007g/cm3
【Boiling Point】
442.5°Cat760mmHg
【Refractive Index】
1.452
【Flash Point】
187.5°C
【Computed Properties】
Molecular Weight:372.49624 [g/mol]
Molecular Formula:C20H36O6
XLogP3-AA:4.3
H-Bond Donor:0
H-Bond Acceptor:6
Rotatable Bond Count:18
Exact Mass:372.251189
MonoIsotopic Mass:372.251189
Topological Polar Surface Area:78.9
Heavy Atom Count:26
Formal Charge:0
Complexity:407
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:2
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1

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