Basic information
- CAS
1338986-76-7- Standard SMILES
COCCC(C)(C)C(=O)O- InChIKey
UPLYSUSXVBONEP-UHFFFAOYSA-N- Molecular formula
- C7H14O3
- Average molar mass
- 146.18 g/mol
- Monoisotopic mass
- 146.0942943
Names & identifiers
- Preferred name
- 4-Methoxy-2,2-dimethylbutanoic acid
- IUPAC
- 4-methoxy-2,2-dimethylbutanoic acid
Names & synonyms
4-methoxy-2,2-dimethylbutanoic acid1338986-76-7RefChem:524504843-971-3SCHEMBL50540854-methoxy-2,2-dimethylbutanoicacidNDC986764-methoxy-2,2-dimethyl-butanoic acidAKOS012032423CS-0233697EN300-135472G45734
Show more names
F8880-7379Z995179662
Database identifiers
- CAS
1338986-76-7- PubChem CID
- 60002007
- EC Number
- 843-971-3
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 118
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%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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