CAS 101750-15-6 3-(3-Methoxypropoxy)-1-propanol (HCID 66984)

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Basic information

CAS: 101750-15-6
Standard SMILES: COCCCOCCCO
InChIKey: QCAHUFWKIQLBNB-UHFFFAOYSA-N
Molecular formula: C7H16O3
Average molar mass: 148.2 g/mol
Monoisotopic mass: 148.10994437

Names & identifiers

Preferred name: 3-(3-Methoxypropoxy)-1-propanol
IUPAC: 3-(3-methoxypropoxy)propan-1-ol
English name: 3-(3-methoxypropoxy)propanol
Molecular formula: C7H16O3
Molecular weight: 148.20014

Names & synonyms

112-28-73-(3-Methoxypropoxy)propanol3-(3-Methoxypropoxy)-1-propanolRefChem:1066723203-954-83-(3-methoxypropoxy)propan-1-ol1-Propanol, 3-(3-methoxypropoxy)-1(or 2)-(2-Methoxymethylethoxy)propanol101750-15-6Caswell No. 551DPropanol, methoxypropoxy-Dipropyleneglycolmonomethylether

Show more names

3-(3-methoxypropoxy)3-[(3-Methoxypropyl)oxy]-1-propanol

EINECS 203-954-8EPA Pesticide Chemical Code 011508SCHEMBL6423828RC6JQ997Fdipropyleneglycol monomethyletherdipropyleneglycolmonomethyl etherSCHEMBL4264825DTXSID4074809

Database identifiers

CAS: 101750-15-6、112-28-7
PubChem CID: 66984
DTXSID: DTXSID4074809
UNII: 8RC6JQ997F
EC Number: 203-954-8
Nikkaji: J193.604B

Properties

Computed structural properties

XLogP: 0
Topological polar surface area: 38.7 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 7
Heavy atoms: 10
Formal charge: 0
Complexity: 56.8

Physicochemical properties

Boiling point: 227.3 · 227.3±20.0 °C(Predicted)
Density: 0.96 · 0.960±0.06 g/cm3(Predicted)
pka: 14.88 · 14.88±0.10(Predicted)
EPA Substance Registry System: 1 · 1-Propanol, 3-(3-methoxypropoxy)- (112-28-7)