trans-4-Isopropylcyclohexane carboxylic acid
- Product Nametrans-4-Isopropylcyclohexane carboxylic acid
- CAS7077-05-6
- CBNumberCB4305767
- MFC10H18O2
- MW170.25
- EINECS230-375-8
- MDL NumberMFCD04004145
- MOL File7077-05-6.mol
- MSDS FileSDS
Chemical Properties
| Melting point | 95 °C |
| Boiling point | 263.8±8.0 °C(Predicted) |
| Density | 0.996±0.06 g/cm3(Predicted) |
| storage temp. | Sealed in dry,Room Temperature |
| solubility | DMSO (Slightly), Methanol (Slightly) |
| form | Solid |
| pka | 4.91±0.10(Predicted) |
| color | White to Off-White |
| Major Application | pharmaceutical (small molecule) |
| InChI | InChI=1S/C10H18O2/c1-7(2)8-3-5-9(6-4-8)10(11)12/h7-9H,3-6H2,1-2H3,(H,11,12)/t8-,9- |
| InChIKey | YRQKWRUZZCBSIG-KYZUINATSA-N |
| SMILES | [C@@H]1(C(O)=O)CC[C@@H](C(C)C)CC1 |
| CAS DataBase Reference | 7077-05-6(CAS DataBase Reference) |
| FDA UNII | J76GYT4RZX |
| EPA Substance Registry System | Cyclohexanecarboxylic acid, 4-(1-methylethyl)-, trans- (7077-05-6) |
| UNSPSC Code | 41116107 |
| NACRES | NA.24 |
Safety
| Symbol(GHS) |
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| Signal word | Warning | |||||||||
| Hazard statements | H315-H319 | |||||||||
| Precautionary statements | P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313 | |||||||||
| Hazard Codes | Xi | |||||||||
| Risk Statements | 36/37/38 | |||||||||
| Safety Statements | 26 | |||||||||
| WGK Germany | WGK 3 | |||||||||
| TSCA | TSCA listed | |||||||||
| HS Code | 2916205000 | |||||||||
| Storage Class | 11 - Combustible Solids | |||||||||
| Hazard Classifications | Eye Irrit. 2 Skin Irrit. 2 | |||||||||
| NFPA 704: |
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