3-Isopropoxy-1-chloro-2-propanol
Basic information
- CAS
4288-84-0- Standard SMILES
CC(C)OCC(O)CCl- InChIKey
GQPJSBQMFFGZAU-UHFFFAOYSA-N- Molecular formula
- C6H13ClO2
- Average molar mass
- 152.62 g/mol
- Monoisotopic mass
- 152.0604073
Names & identifiers
- Preferred name
- 3-Isopropoxy-1-chloro-2-propanol
- IUPAC
- 1-chloro-3-propan-2-yloxypropan-2-ol
- English name
- 1-Isopropoxy-3-chloro-2-propanol
- Molecular formula
- C6H13ClO2
- Molecular weight
- 152.62
Names & synonyms
4288-84-02-Propanol, 1-chloro-3-(1-methylethoxy)-1-Chloro-3-isopropoxy-2-propanol1-chloro-3-(propan-2-yloxy)propan-2-ol2-Propanol, 1-chloro-3-isopropoxy-3-Isopropoxy-1-chloro-2-propanolNSC 48079NSC 31425U 25,352AI3-61874NSC-31425NSC-48079
Show more names
U-25352
259QJ41789DTXSID50884054RefChem:502839DTXCID801023526610-079-91-chloro-3-propan-2-yloxypropan-2-ol1-Isopropoxy-3-chloro-2-propanol1-chloro-3-isopropoxypropan-2-ol
Database identifiers
- CAS
4288-84-0、63744-53-6- PubChem CID
- 94290
- DTXSID
DTXSID50884054- UNII
- 259QJ41789
- EC Number
- 610-079-9
- Nikkaji
- J149.585B
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 66.1
Physicochemical properties
- Boiling point
- 210.74 °C · 210.74°C (rough estimate)
- Density
- 1.091 · 1.0910
- refractive index
- 1.437 · 1.4370 (estimate)
- pka
- 13.31 · 13.31±0.20(Predicted)
- CAS DataBase Reference
- 4288 · 4288-84-0
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 259 QJ41789 · 259QJ41789
- EPA Substance Registry System
- 2 · 2-Propanol, 1-chloro-3-(1-methylethoxy)- (4288-84-0)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501
- 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.
GHS classification
GHS Classification
Warning
H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (97.5%)
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2-Propanol, 1-chloro-3-(1-methylethoxy)-: INACTIVE
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Related reactions
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Compound notes
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