Terebic acid
Basic information
- CAS
79-91-4- Standard SMILES
CC1(C)OC(=O)CC1C(=O)O- InChIKey
UZBOWOQARWWIER-UHFFFAOYSA-N- Molecular formula
- C7H10O4
- Average molar mass
- 158.15 g/mol
- Monoisotopic mass
- 158.0579088
Overview
structure in first source
Names & identifiers
- Preferred name
- Terebic acid
- IUPAC
- 2,2-dimethyl-5-oxooxolane-3-carboxylic acid
- English name
- Terebic acid
- Molecular formula
- C7H10O4
- Molecular weight
- 158.15
Names & synonyms
Terebic acid79-91-42,2-dimethyl-5-oxotetrahydrofuran-3-carboxylic acid5LZG478K6ERefChem:187951201-233-22,2-dimethyl-5-oxooxolane-3-carboxylic acidTEREBICACIDTetrahydro-2,2-dimethyl-5-oxo-3-furoic acidMFCD000224853-Furancarboxylic acid, tetrahydro-2,2-dimethyl-5-oxo-terebinic acid
Show more names
Terebinic acid.DL-Terebic acidTIMTEC-BB SBB010398DL-Terebic acid,98+%LABOTEST-BB LT004409452,2-dimethylparaconic acidγ,γ-Dimethylparaconic acid4,4-DIMETHYL-3-CARBOXY-4-BUTYROLACTONE
2,2-dimethyl-5-oxo-2,3,4-trihydrofuran-3-carboxylic acidUNII-5LZG478K6ETerebinsaureEINECS 201-233-2UNII-5LZTEREBIC ACID [MI]SCHEMBL546932DTXSID201000184
Database identifiers
- CAS
79-91-4- PubChem CID
- 101540
- DTXSID
DTXSID201000184- UNII
- 5LZG478K6E
- EC Number
- 201-233-2
- Nikkaji
- J4.243I
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 206
Physicochemical properties
- Melting point
- 175 °C · 175 °C
- Boiling point
- 203.22 °C · 203.22°C (rough estimate)
- Density
- 0.815 · 0.815
- refractive index
- 1.461 · 1.4610 (estimate)
- storage temp.
- Store at room temperature
- pka
- 3.87 · 3.87±0.40(Predicted)
- form
- powder to crystal
- color
- White to Almost white
- Merck
- 14 · 14,9161
- FDA UNII
- 5 LZG478K6E · 5LZG478K6E
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
- HS Code
- 2932190090 · 2932190090
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]
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (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
- hs_code
- 2932190090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Suppliers
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Related reactions
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Compound notes
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