tert-Butyl 3-hydroxybutanoate
Basic information
- CAS
90435-23-7- Standard SMILES
CC(O)CC(=O)OC(C)(C)C- InChIKey
PKPVFILAHLKSNJ-UHFFFAOYSA-N- Molecular formula
- C8H16O3
- Average molar mass
- 160.21 g/mol
- Monoisotopic mass
- 160.10994437
Names & identifiers
- Preferred name
- tert-Butyl 3-hydroxybutanoate
- IUPAC
- tert-butyl 3-hydroxybutanoate
- English name
- tert-butyl 3-hydroxybutanoate
- Molecular formula
- C8H16O3
- Molecular weight
- 160.21
Names & synonyms
tert-Butyl 3-hydroxybutanoate90435-23-7DTXSID503380023-Hydroxybutyric acid, t-butyl esterRefChem:383406DTXCID90289089827-256-3PKPVFILAHLKSNJ-UHFFFAOYSA-NMFCD243902093-hydroxy-butyric acid tert-butyl esterButanoic acid, 3-hydroxy-, 1,1-dimethylethyl estert-butyl-3-hydroxybutanoate
Show more names
SCHEMBL1260631tert-Butyl 3-hydroxybutanoate #QDA435231,1-Dimethylethyl 3-hydroxybutanoateAKOS032947514AT12506SB44519DA-01282
Database identifiers
- CAS
90435-23-7- PubChem CID
- 545852
- DTXSID
DTXSID50338002- EC Number
- 827-256-3
- Nikkaji
- J1.228.785B
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 135
Physicochemical properties
- storage temp.
- 2 · Storage temp. 2-8°C
- 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)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
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
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
2 records
Compound notes
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