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Structure

Choline 2-ethylhexanoate

CAS
68856-36-0
Catalog Number
ACM68856360
Category
Other Products
Molecular Weight
247.374260 [g/mol]
Molecular Formula
C8H15O2.C5H14NO

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Specification

Synonyms
EINECS 272-508-2; 2-hydroxy-n,n,n-trimethylethanaminium 2-ethylhexanoate; Choline 2-ethylhexanoate;
IUPAC Name
2-ethylhexanoate; 2-hydroxyethyl(trimethyl)azanium
Canonical SMILES
CCCCC(CC)C(=O)[O-].C[N+](C)(C)CCO
InChI Key
XUZNXNABRSCKOA-UHFFFAOYSA-M
Boiling Point
228ºC at 760 mmHg
Flash Point
116.6ºC
EC Number
272-508-2
Exact Mass
247.21500
H-Bond Acceptor
3
H-Bond Donor
1
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