3-Methoxybutanoic acid
Basic information
- CAS
10024-70-1- Standard SMILES
COC(C)CC(=O)O- InChIKey
MXJDPWXQIVDAPH-UHFFFAOYSA-N- Molecular formula
- C5H10O3
- Average molar mass
- 118.13 g/mol
- Monoisotopic mass
- 118.06299418
Names & identifiers
- Preferred name
- 3-Methoxybutanoic acid
- IUPAC
- 3-methoxybutanoic acid
- English name
- 3-methoxybutyric acid
- Molecular formula
- C5H10O3
- Molecular weight
- 118.13
Names & synonyms
3-Methoxybutanoic acid10024-70-1BUTYRIC ACID, 3-METHOXY-3-Methoxy butanoic acidNSC 2145EINECS 233-028-9BRN 1721210AI3-242034-03-00-00761 (Beilstein Handbook Reference)RefChem:94638MXJDPWXQIVDAPH-UHFFFAOYSA-N3-Methoxybutyric acid
Show more names
Butanoic acid, 3-methoxy-Kyselina 3-methoxymaselnaMFCD000298173-MethoxybutanoicacidKyselina 3-methoxymaselna [Czech](RS)-3-methoxybutanoic acidSCHEMBL143521SCHEMBL210088
Database identifiers
- CAS
10024-70-1- PubChem CID
- 24803
- DTXSID
DTXSID501030017- EC Number
- 233-028-9
- Nikkaji
- J35.102D
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 79.7
Physicochemical properties
- Melting point
- 12 °C · 12°C
- Boiling point
- 194 ℃ · 194℃
- Density
- 1.05 · 1.050
- refractive index
- 1.4238 · 1.4238
- Flash point
- 79 ℃ · 79℃
- storage temp.
- 2 · 2-8°C
- pka
- 4.26 · 4.26±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07,GHS05
- Signal word
- Danger
- Hazard statements
- 335 · H335-H315-H318
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310
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
- Danger
- Symbol(GHS)
- GHS07,GHS05
- Hazard statements
- H335-H315-H318
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310
Related reactions
7 records
Compound notes
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