Basic information
- CAS
4732-12-1- Standard SMILES
CCOc1cc(C)ccc1C(C)C- InChIKey
XBHCIDWYCKQMQS-UHFFFAOYSA-N- Molecular formula
- C12H18O
- Average molar mass
- 178.27 g/mol
- Monoisotopic mass
- 178.13576519
Names & identifiers
- Preferred name
- Benzene, 2-ethoxy-4-methyl-1-(1-methylethyl)-
- IUPAC
- 2-ethoxy-4-methyl-1-propan-2-ylbenzene
- English name
- O-ethylmenthol
- Molecular formula
- C12H18O
- Molecular weight
- 178.27
Names & synonyms
2-Isopropyl-5-methylphenetole4732-12-12-Isopropyl-5-methylphenetholePhenetole, 2-isopropyl-5-methyl-EINECS 225-237-9BRN 2518191DTXSID4063583Benzene, 2-ethoxy-4-methyl-1-(1-methylethyl)-RefChem:562573DTXCID4040553225-237-9Thymyl ethyl ether
Show more names
O-ethylmentholEthylthymyl ether1-Isopropyl-2-ethoxy-4-methylbenzene2-Ethoxy-4-methyl-1-(1-methylethyl)benzene
2-ETHOXY-1-ISOPROPYL-4-METHYLBENZENECHEMBL4452910Thymolathylather2-ethoxy-4-methyl-1-(propan-2-yl)benzeneSCHEMBL1492630SCHEMBL8246277SCHEMBL16952932XBHCIDWYCKQMQS-UHFFFAOYSA-N
Database identifiers
- CAS
4732-12-1- PubChem CID
- 78466
- DTXSID
DTXSID4063583- ChEMBL
CHEMBL4452910- EC Number
- 225-237-9
- Nikkaji
- J262.417F
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 142
Physicochemical properties
- Boiling point
- 222 °C · 222 °C
- Density
- 0.908 · 0.908±0.06 g/cm3(Predicted)
- EWG's Food Scores
- 1 · 1
- EPA Substance Registry System
- 2 · 2-Isopropyl-5-methylphenetole (4732-12-1)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationChemical: Benzene, 2-ethoxy-4-methyl-1-(1-methylethyl)-
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzene, 2-ethoxy-4-methyl-1-(1-methylethyl)-: INACTIVE
Suppliers2 total
Hebei Zhuanglai Chemical Trading Co Ltd+86-16264648883 · [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
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