Basic information
- CAS
3855-26-3- Standard SMILES
CCc1cc(C)ccc1O- InChIKey
AVVVXUXMKWPKAJ-UHFFFAOYSA-N- Molecular formula
- C9H12O
- Average molar mass
- 136.19 g/mol
- Monoisotopic mass
- 136.088815
Overview
2-Ethyl-4-methylphenol is a hydroxytoluene.
Names & identifiers
- Preferred name
- 2-Ethyl-4-methylphenol
- IUPAC
- 2-ethyl-4-methylphenol
- English name
- 2-ethyl-p-cresol
- Molecular formula
- C9H12O
- Molecular weight
- 136.19
Names & synonyms
2-Ethyl-4-methylphenol2-Ethyl-p-cresolp-Cresol, 2-ethyl-Phenol, 2-ethyl-4-methyl-2-ethyl-4-methyl-phenolEINECS 223-361-8UNII-L4679W99NCL4679W99NC2-Ethyl-p-cresol, 8CIDTXSID30191879RefChem:86907DTXCID20114370
Show more names
223-361-8AVVVXUXMKWPKAJ-UHFFFAOYSA-N3855-26-3MFCD16997590SCHEMBL1023280SCHEMBL11252558SCHEMBL21248055SCHEMBL25363037
Database identifiers
- CAS
3855-26-3- PubChem CID
- 77462
- DTXSID
DTXSID30191879- ChEBI
CHEBI:196447- UNII
- L4679W99NC
- EC Number
- 223-361-8
- Nikkaji
- J45.661F
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 101
Experimental & physicochemical properties
SpringerMaterials PropertiesDensity
Physicochemical properties
- Melting point
- 25.7 °C · 25.7°C
- Boiling point
- 222.4 °C · 222.4°C
- Density
- 0.9809 · 0.9809 (estimate)
- refractive index
- 1.5145 · 1.5145 (estimate)
- pka
- 10.57 · 10.57±0.18(Predicted)
- form
- solid
- InChI
- 1S/C9H12O/c1-3-8-6-7(2)4-5-9(8)10/h4-6,10H,3H2,1-2H3
- InChIKey
- AVVVXUXMKWPKAJ-UHFFFAOYSA-N
- SMILES
- CCc1cc(C)ccc1O
- LogP
- 3.006 · 3.006 (est)
- FDA UNII
- 4679 W99NC · L4679W99NC
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 21 · NA.21
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]
P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 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
- wgk
- 3
- risk_code
- 22-41
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- hazard_code
- Xn
- safety_code
- 26-39
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H318
- Hazard Classifications
- Acute Tox. 4 OralEye Dam. 1
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
Applications
Uses2-Ethyl-4-methylphenol is a useful research chemical used in the preparation and production of phenols from lignin.
Suppliers6 total
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
陕西缔都医药化工有限公司+86-029-81138252 +86-173 9270 1263 · [email protected]
上海鑫凯化学科技有限公司021-58930698 15921516558 · [email protected]
上海超岚化工科技中心（原宁波市超明生物科技有限公司）13301662590 · [email protected]
Aromsyn Co., Ltd.+86-0571-85585865 +86-13336024896 · [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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