3-Propoxy-1,2-propanediol
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Basic information
- CAS
52250-41-6- Standard SMILES
CCCOCC(O)CO- InChIKey
ZTKZJXGLCCVMLJ-UHFFFAOYSA-N- Molecular formula
- C6H14O3
- Average molar mass
- 134.17 g/mol
- Monoisotopic mass
- 134.0942943
Names & identifiers
- Preferred name
- 3-Propoxy-1,2-propanediol
- IUPAC
- 3-propoxypropane-1,2-diol
- English name
- glycerol propyl ether
- Molecular formula
- C6H14O3
- Molecular weight
- 134.17356
Names & synonyms
61940-71-41-O-PropylglycerolPropoxypropanediol3-Propoxy-1,2-propanediolDV77YE508BORISTAR POPDNSC-167418DTXSID401334020RefChem:1068534DTXCID7010212223-propoxypropane-1,2-diol1-o-propyl-rac-glycerol
Show more names
Glycerol propyl ether52250-41-61,2-Propanediol, 3-propoxy-1,2-Propanediol,3-propoxy-3-Propoxy-1,2-propanediol; NSC 167418BRN 1736327UNII-DV77YE508BEINECS 257-787-0
Database identifiers
- CAS
52250-41-6、61940-71-4- PubChem CID
- 99037
- DTXSID
DTXSID401334020- UNII
- DV77YE508B
- EC Number
- 257-787-0、612-767-4
- Nikkaji
- J803.490G
Properties
Computed structural propertiesFilling in
- XLogP
- -0.3
- Topological polar surface area
- 49.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 56.3
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
Danger
H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
P264+P265, P280, P305+P354+P338, and P317 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesEye Dam. 1 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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