Basic information
- CAS
2219-78-5- Standard SMILES
CCc1cc(C)c(C)cc1O- InChIKey
ZUDAICPAUJSPHK-UHFFFAOYSA-N- Molecular formula
- C10H14O
- Average molar mass
- 150.22 g/mol
- Monoisotopic mass
- 150.10446507
Names & identifiers
- Preferred name
- 3,4-Dimethyl-6-ethylphenol
- IUPAC
- 2-ethyl-4,5-dimethylphenol
- English name
- 3,4-Dimethyl-6-ethylphenol
- Molecular formula
- C10H14O
- Molecular weight
- 150.22
Names & synonyms
2-Ethyl-4,5-dimethylphenol3,4-DIMETHYL-6-ETHYLPHENOLRefChem:486341654-536-02219-78-56-Ethyl-3,4-dimethylphenol4,5-Dimethyl-2-ethylphenolPhenol, 2-ethyl-4,5-dimethyl-3,4-Xylenol, 6-ethyl-Phenol,2-ethyl-4,5-dimethyl-7CX4CE64WGUNII-7CX4CE64WG
Show more names
NSC 62107NSC-621071-Hydroxy-3,4-dimethyl-6-ethylbenzene2-ethyl-4,5-dimethyl-phenolNSC621073, 6-ethyl-SCHEMBL40924152-Ethyl-4,5-dimethylphenol #
Database identifiers
- CAS
2219-78-5- PubChem CID
- 247477
- DTXSID
DTXSID30289588- UNII
- 7CX4CE64WG
- EC Number
- 654-536-0
- Nikkaji
- J331.235F
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 122
Physicochemical properties
- Melting point
- 51 °C · 51°C
- Boiling point
- 236.65 °C · 236.65°C (estimate)
- Density
- 0.9688 · 0.9688 (estimate)
- refractive index
- 1.5104 · 1.5104 (estimate)
- pka
- 10.7 · 10.70±0.23(Predicted)
- FDA UNII
- 7 CX4CE64WG · 7CX4CE64WG
- Symbol(GHS)
- 7 · GHS07,GHS05
- Signal word
- Danger
- Hazard statements
- 335 · H335-H318-H302-H315
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310
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
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS05
- Hazard statements
- H335-H318-H302-H315
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310
Chemistry & industry
Suppliers1 total
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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