1-propylundecyltrichloro acetate

1-propylundecyltrichloro acetate
Compound Structure:
Synonyms: Dodecyl trichloroacetate;dodecyl 2,2,2-trichloroacetate;Trichloroacetic acid, dodecyl ester;n-dodecyltrichloroacetate;Dodecyl trichloroacetate
Compound ID: NMPC-122
PubChem ID:

240078
Molecular Formula: C14H25Cl3O2
Canonical SMILES: CCCCCCCCCCCCOC(=O)C(Cl)(Cl)Cl
InChIKey: "LFBVFMYQESVNJY-UHFFFAOYSA-N "
About the compound:

Dodecyl trichloroacetate is an organic compound with the molecular formula C14H25Cl3O2. It is characterized by a dodecyl chain, which consists of 12 carbon atoms, attached to a trichloroacetate group. The trichloroacetate group is a functional group that features three chlorine atoms and an acetate group (CH3COO) linked to a central carbon atom.

GHS Hazard Statements

• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

• H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Properties:

Chemical and Physical Properties

Property Name

Property Value

Molecular Weight

331.7 g/mol

XLogP3

7.4

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

2

Rotatable Bond Count

12

Exact Mass

330.092013 g/mol

Monoisotopic Mass

330.092013 g/mol

Topological Polar Surface Area

26.3Ų

Heavy Atom Count

19

Formal Charge

0

Complexity

227

Isotope Atom Count

0

Defined Atom Stereocenter Count

0

Undefined Atom Stereocenter Count

0

Defined Bond Stereocenter Count

0

Undefined Bond Stereocenter Count

0

Covalently-Bonded Unit Count

1

Compound Is Canonicalized

Yes

Source: PubChem
Source Species: Hippocratea indica
Download SDF