2-Propanol, 1-(1-methylethoxy)-, 2-acetate
Basic information
- CAS
54839-25-7- Standard SMILES
CC(=O)OC(C)COC(C)C- InChIKey
JQTIDYJFCNWJFO-UHFFFAOYSA-N- Molecular formula
- C8H16O3
- Average molar mass
- 160.21 g/mol
- Monoisotopic mass
- 160.10994437
Names & identifiers
- Preferred name
- 2-Propanol, 1-(1-methylethoxy)-, 2-acetate
- IUPAC
- 1-propan-2-yloxypropan-2-yl acetate
- English name
- 2-(isopropyloxy)-1-methylethyl acetate
- Molecular formula
- C8H16O3
- Molecular weight
- 160.21
Names & synonyms
54839-25-7EINECS 259-371-42-Propanol, 1-(1-methylethoxy)-, acetate2-Propanol, 1-(1-methylethoxy)-, 2-acetateDTXSID10886115RefChem:89158DTXCID6010254572-(Isopropyloxy)-1-methylethyl acetateSCHEMBL329890JQTIDYJFCNWJFO-UHFFFAOYSA-N1-[(Propan-2-yl)oxy]propan-2-yl acetateDB-312875
Show more names
1-Isopropyloxy-2-propanol acetate1-(1-METHOXYETHOXY)-2-PROPANOL,ACETATE
NS00058840
Database identifiers
- CAS
54839-25-7- PubChem CID
- 108262
- DTXSID
DTXSID10886115- EC Number
- 259-371-4
- Nikkaji
- J326.697D
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 121
Physicochemical properties
- EPA Substance Registry System
- 2 · 2-Propanol, 1-(1-methylethoxy)-, acetate (54839-25-7)
- 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.
Hazard information
Regulatory InformationPMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2-Propanol, 1-(1-methylethoxy)-, 2-acetate: INACTIVE
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Related reactions
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Compound notes
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