Basic information
- CAS
78987-81-2- Standard SMILES
Cc1ccc(C)c(C(O)C2CC2)c1- InChIKey
XNVLDOQNXQCBPD-UHFFFAOYSA-N- Molecular formula
- C12H16O
- Average molar mass
- 176.25 g/mol
- Monoisotopic mass
- 176.12011513
Names & identifiers
- Preferred name
- Cyclopropyl(2,5-dimethylphenyl)methanol
- IUPAC
- cyclopropyl-(2,5-dimethylphenyl)methanol
- English name
- alpha-cyclopropyl-2,5-dimethylbenzyl alcohol
- Molecular formula
- C12H16O
- Molecular weight
- 176.25484
Names & synonyms
cyclopropyl(2,5-dimethylphenyl)methanol78987-81-2cyclopropyl-(2,5-dimethylphenyl)methanolalpha-Cyclopropyl-2,5-dimethylbenzyl alcoholEINECS 279-034-5NSC163151alpha-Cyclopropyl-2,5-dimethylbenzenemethanolDTXSID301269569MFCD00019250SBB089195AKOS009158739NSC 163151
Show more names
Cyclopropyl 2,5-diMethylphenyl carbinolα-Cyclopropyl-2,5-dimethylbenzenemethanolα-Cyclopropyl-2,5-dimethylbenzenemethanolBenzenemethanol, α-cyclopropyl-2,5-dimethyl-Benzenemethanol, a-cyclopropyl-2,5-dimethyl-
NSC-163151SB85234a-Cyclopropyl-2,5-dimethylbenzenemethanol(2,5-dimethylphenyl)cyclopropylmethan-1-olDB-342538CS-0368243NS00061440I+/--Cyclopropyl-2,5-dimethylbenzenemethanol
Database identifiers
- CAS
78987-81-2- PubChem CID
- 98997
- DTXSID
DTXSID301269569- EC Number
- 279-034-5
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 174
Physicochemical properties
- Boiling point
- 287.1 · 287.1±9.0 °C(Predicted)
- Density
- 1.085 · 1.085±0.06 g/cm3(Predicted)
- pka
- 14.57 · 14.57±0.20(Predicted)
- HS Code
- 2906190090 · 2906190090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2906190090
Chemistry & industry
Suppliers3 total
湖北玖天生物医药科技有限公司027-88013699 17354350817 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…