3-(Propan-2-yloxy)propanoic acid
Basic information
- CAS
41255-85-0- Standard SMILES
CC(C)OCCC(=O)O- InChIKey
DVNBASXKSCNLKQ-UHFFFAOYSA-N- Molecular formula
- C6H12O3
- Average molar mass
- 132.16 g/mol
- Monoisotopic mass
- 132.07864424
Names & identifiers
- Preferred name
- 3-(Propan-2-yloxy)propanoic acid
- IUPAC
- 3-propan-2-yloxypropanoic acid
- English name
- 3-isopropoxypropanoic acid
- Molecular formula
- C6H12O3
- Molecular weight
- 132.16
Names & synonyms
3-(propan-2-yloxy)propanoic acidRefChem:496015817-570-941255-85-03-isopropoxypropanoic acid3-propan-2-yloxypropanoic acidMFCD09931386Propanoic acid, 3-(1-methylethoxy)-SCHEMBL261295SCHEMBL11128264SCHEMBL274359563-(propan-2-yloxy)propanoicacid
Show more names
DTXSID205672613-(1-methylethoxy)propanoic acidRBA255853-[(Propan-2-yl)oxy]propanoic acidAKOS000170363BS-13050SY172327DB-425030
Database identifiers
- CAS
41255-85-0- PubChem CID
- 15033461
- DTXSID
DTXSID20567261- EC Number
- 817-570-9
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 88.3
Physicochemical properties
- Boiling point
- 220 · 220-221 °C(Press: 744 Torr)
- Density
- 1.024 · 1.024±0.06 g/cm3(Predicted)
- storage temp.
- 2 · Storage temp. 2-8°C
- pka
- 4.34 · 4.34±0.10(Predicted)
- Appearance
- Colorless to light yellow Liquid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (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 CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Suppliers
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Related reactions
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Compound notes
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