Polyethylene glycol monocaprylate

HCID 170609

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Basic information

CAS: 42131-42-0
Standard SMILES: CCCCCCCC(=O)OCCO
InChIKey: CBLFQQQLPYAQCP-UHFFFAOYSA-N
Molecular formula: C10H20O3
Average molar mass: 188.26 g/mol
Monoisotopic mass: 188.1412445

Names & identifiers

Preferred name: Polyethylene glycol monocaprylate
IUPAC: 2-hydroxyethyl octanoate
English name: Poly(oxy-1,2-ethanediyl), alpha-(1-oxooctyl)-omega- hydroxy-, EO 3-10 mol
Molecular formula: C10H20O3
Molecular weight: 188.264

Names & synonyms

42131-42-0RefChem:866375DTXSID30891226Poly(oxy1,2ethanediyl), alpha(1oxooctyl)omegahydroxy2-hydroxyethyl octanoate4219-47-0Ethylene Glycol Monooctanoate2-hydroxyethyl caprylateGlycol OctanoateNSC401980SCHEMBL825306DTXSID80866080

Show more names

Polyethylene glycol monocaprylatePoly(oxy-1,2-ethanediyl), alpha-(1-oxooctyl)-omega-hydroxy-Poly(oxy-1,2-ethanediyl), alpha-(1-oxooctyl)-omega- hydroxy-, EO 3-10 mol

octanoic acid 2-hydroxy-ethyl esterNSC-401980

Database identifiers

CAS: 42131-42-0、4219-47-0
PubChem CID: 170609
DTXSID: DTXSID80866080
Nikkaji: J106.453C

Properties

Computed structural properties

XLogP: 2.4
Topological polar surface area: 46.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 9
Heavy atoms: 13
Formal charge: 0
Complexity: 123

Experimental & physicochemical properties

PolymersOther Classes -> Polyoxyethylenes

Physicochemical properties

EPA Substance Registry System: Poly(oxy-1,2-ethanediyl), .alpha.-(1-oxooctyl)-.omega.-hydroxy- (42131-42-0)
TSCA: TSCA listed

Safety & regulation

Hazard information

Regulatory InformationFRI - indicates a polymeric substance containing no free-radical initiator in its Inventory name but is considered to cover the designated polymer made with any free-radical initiator regardless of the amount used.