Ethyl 3-chloro-2,2-dimethylpropanoate

HCID 287572

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Basic information

CAS: 106315-37-1
Standard SMILES: CCOC(=O)C(C)(C)CCl
InChIKey: NEVHNBRNUWSFSB-UHFFFAOYSA-N
Molecular formula: C7H13ClO2
Average molar mass: 164.63 g/mol
Monoisotopic mass: 164.06040734

Names & identifiers

Preferred name: Ethyl 3-chloro-2,2-dimethylpropanoate
IUPAC: ethyl 3-chloro-2,2-dimethylpropanoate
English name: Ethyl 3-chloro-2,2-dimethylpropanoate
Molecular formula: C7H13ClO2
Molecular weight: 164.63

Names & synonyms

ethyl 3-chloro-2,2-dimethylpropanoate106315-37-1DTXSID40301962RefChem:343364DTXCID20253096848-594-83-Chloro-2,2-dimethyl-propionic acid ethyl esterMFCD00220052ethyl 3-chloro-2,2-dimethyl-propanoateNSC147628SCHEMBL669239SCHEMBL5030797

Show more names

Propanoic acid, 3-chloro-2,2-dimethyl-, ethyl esterEthyl 3-chloropivalate, Ethyl 3-chloro-2,2-dimethylpropionate

NEVHNBRNUWSFSB-UHFFFAOYSA-NGEA31537SBB087854Ethyl 3-chloro-22-dimethylpropanoateethyl3-chloro-2,2-dimethylpropanoateAKOS006228623NSC-147628SB30445

Database identifiers

CAS: 106315-37-1
PubChem CID: 287572
DTXSID: DTXSID40301962
EC Number: 848-594-8

Properties

Computed structural properties

XLogP: 1.9
Topological polar surface area: 26.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 4
Heavy atoms: 10
Formal charge: 0
Complexity: 121

Physicochemical properties

Boiling point: 38 · 38-40/0.1mm
Density: 1.035 · 1.035±0.06 g/cm3(Predicted)
form: liquid
color: Clear, colourless
InChI: InChI=1S/C7H13ClO2/c1-4-10-6(9)7(2,3)5-8/h4-5H2,1-3H3
InChIKey: NEVHNBRNUWSFSB-UHFFFAOYSA-N
SMILES: C(OCC)(=O)C(C)(C)CCl
Symbol(GHS): 6 · GHS06
Signal word: Danger
Hazard statements: 301 · H301-H311-H331
Precautionary statements: 261 · P261-P280-P301+P310-P311
Hazard Note: Harmful
HS Code: 2916399090 · 2916399090

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H227 (50%): Combustible liquid [Warning Flammable liquids]

P210, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.