Dodecyl Chloroacetate - CAS 6316-04-7

Catalog:	BB066581
Product Name:	Dodecyl Chloroacetate
CAS:	6316-04-7
Synonyms:	1-Dodecyl Chloroacetate; Dodecyl 2-Chloroacetate; Lauryl Chloroacetate; NSC 20853; n-Dodecyl Chloroacetate; n-Dodecyl Monochloroacetate

Technical Data

IUPAC Name:	dodecyl 2-chloroacetate
Description:	Dodecyl Chloroacetate is an intermediate in the synthesis of Sodium Lauryl Sulfoacetate (S634303). Sodium Lauryl Sulfoacetate,can be used in the preparation of new surfactants of sodium cocoyl threoninate and sodium cocoyl glutamate that offer outstanding mildness, moisturization properties, and good foaming ability.
Molecular Weight:	262.82
Molecular Formula:	C14H27ClO2
Canonical SMILES:	CCCCCCCCCCCCOC(=O)CCl
InChI:	InChI=1S/C14H27ClO2/c1-2-3-4-5-6-7-8-9-10-11-12-17-14(16)13-15/h2-13H2,1H3
InChI Key:	JPPYCWJDINILKY-UHFFFAOYSA-N
References:	Gesslein, B. W., et al. SOFW Journal, Vol. 139, Iss. 6, P:20,22-25 (2013).

Complexity:	172
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	262.1699578
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	262.1699578
Rotatable Bond Count:	13
Topological Polar Surface Area:	26.3Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	6.2