3-(Methoxycarbonyl)-2,2,3-trimethylcyclopentane-1-carboxylic acid
Basic information
- CAS
306935-16-0- Standard SMILES
COC(=O)C1(C)CCC(C(=O)O)C1(C)C- InChIKey
CNHMFZIFLREWPF-UHFFFAOYSA-N- Molecular formula
- C11H18O4
- Average molar mass
- 214.26 g/mol
- Monoisotopic mass
- 214.12050905
Names & identifiers
- Preferred name
- 3-(Methoxycarbonyl)-2,2,3-trimethylcyclopentane-1-carboxylic acid
- IUPAC
- 3-methoxycarbonyl-2,2,3-trimethylcyclopentane-1-carboxylic acid
- English name
- 3-(Methoxycarbonyl)-2,2,3-trimethylcyclopentane-1-carboxylic acid
- Molecular formula
- C11H18O4
- Molecular weight
- 214.26
Names & synonyms
306935-16-03-(Methoxycarbonyl)-2,2,3-trimethylcyclopentane-1-carboxylic acid3-(methoxycarbonyl)-2,2,3-trimethylcyclopentanecarboxylic acid3-methoxycarbonyl-2,2,3-trimethylcyclopentane-1-carboxylic acidCamphersauremethylesterMaybridge1_004255camphoric acid methyl esterSCHEMBL987271HMS553J11DTXSID40371564CNHMFZIFLREWPF-UHFFFAOYSA-NCCG-52535
Show more names
AKOS BBS-00000076IFLAB-BB F1901-0013SALOR-INT L119148-1EA1,3-Cyclopentanedicarboxylic acid, 1,2,2-trimethyl-, 1-methyl esterMethyl 3-carboxy-1,2,2-trimethylcyclopentane-1-carboxylate, 1-Carboxy-3-(methoxycarbonyl)-2,2,3-trimethylcyclopentane
SBB038028AKOS000267947DB-047846ST50036674SR-01000641766-13-(Methoxycarbonyl)-2,2,3-trimethylcyclopentanecarboxylicacid
Database identifiers
- CAS
306935-16-0- PubChem CID
- 2736737
- DTXSID
DTXSID40371564- EC Number
- 121-001-3
- Nikkaji
- J1.933.752I
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 295
Physicochemical properties
- Melting point
- 74 °C · 74 °C
- Boiling point
- 133 °C · 133 °C(Press: 13 Torr)
- Density
- 1.0799 g/cm3 · 1.0799 g/cm3(Temp: 14.6 °C)
- pka
- 4.55 · 4.55±0.60(Predicted)
- Hazard Codes
- Xi
- Hazard Note
- Irritant
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, 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
- hazard_code
- Xi
- hazard_note
- Irritant
Related reactions
3 records
Compound notes
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