2-(tert-Butoxycarbonyl)cyclohexane-1-carboxylic acid
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Basic information
- CAS
886365-95-3- Standard SMILES
CC(C)(C)OC(=O)C1CCCCC1C(=O)O- InChIKey
XUVJUIHIZBJBPD-UHFFFAOYSA-N- Molecular formula
- C12H20O4
- Average molar mass
- 228.28 g/mol
- Monoisotopic mass
- 228.13615911
Names & identifiers
- Preferred name
- 2-(tert-Butoxycarbonyl)cyclohexane-1-carboxylic acid
- IUPAC
- 2-[(2-methylpropan-2-yl)oxycarbonyl]cyclohexane-1-carboxylic acid
- English name
- CYCLOHEXANE-1,2-DICARBOXYLIC ACID MONO-TERT-BUTYL ESTER
- Molecular formula
- C12H20O4
- Molecular weight
- 228.28
Names & synonyms
886365-95-32-(TERT-BUTOXYCARBONYL)CYCLOHEXANE-1-CARBOXYLIC ACIDDTXSID90610218RefChem:254787DTXCID605609732-(tert-butoxycarbonyl)cyclohexanecarboxylic acidCyclohexane-1,2-dicarboxylic acid mono-tert-butyl esterMFCD077840812-[(2-methylpropan-2-yl)oxycarbonyl]cyclohexane-1-carboxylic acidCyclohexane-1,2-dicarboxylic acid mono-tert-butylester(1R,2S)-2-(tert-butoxycarbonyl)cyclohexanecarboxylic acid(1S,2S)-2-[(tert-butoxy)carbonyl]cyclohexane-1-carboxylic acid
Show more names
1-(1,1-Dimethylethyl) 1,2-cyclohexanedicarboxylate1,2-Cyclohexanedicarboxylic acid, 1-(1,1-dimethylethyl) esterCyclohexane-1,2-dicarboxylic acid mono-tert-butyl ester, CAS 886365-95-3
SCHEMBL12969802-[(tert-butoxy)carbonyl]cyclohexane-1-carboxylic acidSB44321DB-318960CS-02000432-tert-butoxycarbonylcyclohexanecarboxylic acid2-(tert-butoxycarbonyl)cyclohexanecarboxylicacidF040748
Database identifiers
- CAS
886365-95-3- PubChem CID
- 21019243
- DTXSID
DTXSID90610218- EC Number
- 675-908-9
Properties
Computed structural propertiesFilling in
- XLogP
- 2.2
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 277
Physicochemical properties
- storage temp.
- 2 · 2-8°C
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302+H312+H332-H315-H319-H335
- Precautionary statements
- 261 · P261-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
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+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 CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302+H312+H332-H315-H319-H335
- Precautionary statements
- P261-P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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