Acetic acid, 2-chloro-, 1-methyl-2-(2-methylpropoxy)ethyl ester
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Basic information
- CAS
40137-60-8- Standard SMILES
CC(C)COCC(C)OC(=O)CCl- InChIKey
YKCNOWIHQSJPHL-UHFFFAOYSA-N- Molecular formula
- C9H17ClO3
- Average molar mass
- 208.68 g/mol
- Monoisotopic mass
- 208.0866221
Names & identifiers
- Preferred name
- Acetic acid, 2-chloro-, 1-methyl-2-(2-methylpropoxy)ethyl ester
- IUPAC
- 1-(2-methylpropoxy)propan-2-yl 2-chloroacetate
- English name
- 1-methyl-2-(2-methylpropoxy)ethyl chloroacetate
- Molecular formula
- C9H17ClO3
- Molecular weight
- 208.68
Names & synonyms
40137-60-8EINECS 254-810-6Acetic acid, chloro-, 1-methyl-2-(2-methylpropoxy)ethyl esterAcetic acid, 2-chloro-, 1-methyl-2-(2-methylpropoxy)ethyl esterDTXSID40885797RefChem:552129DTXCID5010251591-Methyl-2-(2-methylpropoxy)ethyl chloroacetateYKCNOWIHQSJPHL-UHFFFAOYSA-NNS000583911-(2-Methylpropoxy)propan-2-yl chloroacetateChloroacetic acid 1-methyl-2-(2-methylpropoxy)ethyl ester
Database identifiers
- CAS
40137-60-8- PubChem CID
- 170276
- DTXSID
DTXSID40885797- EC Number
- 254-810-6
- Nikkaji
- J332.372B
Properties
Computed structural propertiesFilling in
- XLogP
- 2.4
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 148
Physicochemical properties
- Boiling point
- 259.3 · 259.3±15.0 °C(Predicted)
- Density
- 1.048 · 1.048±0.06 g/cm3(Predicted)
- EPA Substance Registry System
- 1 · Acetic acid, chloro-, 1-methyl-2-(2-methylpropoxy)ethyl ester (40137-60-8)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationAcetic acid, 2-chloro-, 1-methyl-2-(2-methylpropoxy)ethyl ester: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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