Basic information
- CAS
5904-58-5- Standard SMILES
CCC(CC)(CO)C(=O)O- InChIKey
NGNICDYIWUGSEY-UHFFFAOYSA-N- Molecular formula
- C7H14O3
- Average molar mass
- 146.18 g/mol
- Monoisotopic mass
- 146.0942943
Names & identifiers
- Preferred name
- 2-Ethyl-2-(hydroxymethyl)butyric acid
- IUPAC
- 2-ethyl-2-(hydroxymethyl)butanoic acid
- English name
- 2-ethyl-2-(hydroxymethyl)butyric acid
- Molecular formula
- C7H14O3
- Molecular weight
- 146.18426
Names & synonyms
2-ethyl-2-(hydroxymethyl)butanoic acid2-Ethyl-2-(hydroxymethyl)butyric acidCB5Q4HP8NNEINECS 227-599-3DTXSID80207792BUTANOIC ACID, 2-ETHYL-2-(HYDROXYMETHYL)-RefChem:86866DTXCID30130283227-599-35904-58-5UNII-CB5Q4HP8NNSCHEMBL3465122
Show more names
SCHEMBL3465123NGNICDYIWUGSEY-UHFFFAOYSA-NFAA90458MFCD189748282-ethyl-2-(hydroxymethyl)butanoicacidAKOS006378217SY205516DB-313990
Database identifiers
- CAS
5904-58-5- PubChem CID
- 80004
- DTXSID
DTXSID80207792- UNII
- CB5Q4HP8NN
- EC Number
- 227-599-3
- Nikkaji
- J223.873J
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 116
Physicochemical properties
- FDA UNII
- 5 Q4HP8NN · CB5Q4HP8NN
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers1 total
宝欧信特生物科技（苏州）有限公司51288865780 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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