1-[(Propan-2-yloxy)methyl]cyclobutane-1-carboxylic acid
Basic information
- CAS
1387557-40-5- Standard SMILES
CC(C)OCC1(C(=O)O)CCC1- InChIKey
JYMVLBRENHEORG-UHFFFAOYSA-N- Molecular formula
- C9H16O3
- Average molar mass
- 172.22 g/mol
- Monoisotopic mass
- 172.10994437
Names & identifiers
- Preferred name
- 1-[(Propan-2-yloxy)methyl]cyclobutane-1-carboxylic acid
- IUPAC
- 1-(propan-2-yloxymethyl)cyclobutane-1-carboxylic acid
- English name
- 1-Isopropoxymethyl-cyclobutanecarboxylic acid
- Molecular formula
- C9H16O3
- Molecular weight
- 172.22
Names & synonyms
1387557-40-51-[(propan-2-yloxy)methyl]cyclobutane-1-carboxylic acid1-((propan-2-yloxy)methyl)cyclobutane-1-carboxylic acidRefChem:418891984-633-61-(Isopropoxymethyl)cyclobutane-1-carboxylic acidAB920151-Isopropoxymethyl-cyclobutanecarboxylic acidCS-04457871-(isopropoxymethyl)cyclobutanecarboxylic acidEN300-18575601-[(propan-2-yloxy)methyl]cyclobutane-1-carboxylicacid
Show more names
Cyclobutanecarboxylic acid, 1-[(1-methylethoxy)methyl]-
Database identifiers
- CAS
1387557-40-5- PubChem CID
- 97033937
- EC Number
- 984-633-6
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 171
Physicochemical properties
- Boiling point
- 258.8 · 258.8±13.0 °C(Predicted)
- Density
- 1.083 · 1.083±0.06 g/cm3(Predicted)
- storage temp.
- Store at Room Tem.
- pka
- 4.53 · 4.53±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+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-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
Suppliers
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Related reactions
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Compound notes
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