Basic information
- CAS
2219-73-0- Standard SMILES
CCc1ccc(O)c(C)c1- InChIKey
QDQMEHXIUFCIGR-UHFFFAOYSA-N- Molecular formula
- C9H12O
- Average molar mass
- 136.19 g/mol
- Monoisotopic mass
- 136.088815
Overview
4-Ethyl-2-methylphenol is a hydroxytoluene.
Names & identifiers
- Preferred name
- 4-Ethyl-2-methylphenol
- IUPAC
- 4-ethyl-2-methylphenol
- English name
- 4-ethyl-o-cresol
- Molecular formula
- C9H12O
- Molecular weight
- 136.19
Names & synonyms
4-Ethyl-2-methylphenol4-Ethyl-o-cresol2-Methyl-4-ethylphenolo-Cresol, 4-ethyl-UNII-Z98H442K3UZ98H442K3UEINECS 218-733-14-Ethyl-O-cresol, 8CIDTXSID10176725RefChem:98864DTXCID7099216218-733-1
Show more names
QDQMEHXIUFCIGR-UHFFFAOYSA-N2219-73-0Phenol, 4-ethyl-2-methyl-4-Ethyl-2-methyl-PhenolPhenol, 4-ethylmethyl-starbld0032259SCHEMBL1416648SCHEMBL3169916
Database identifiers
- CAS
2219-73-0- PubChem CID
- 34857
- DTXSID
DTXSID10176725- ChEBI
CHEBI:196445- UNII
- Z98H442K3U
- EC Number
- 218-733-1
- Nikkaji
- J45.659D
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
- 48.26 °C · 48.26°C (estimate)
- Boiling point
- 227.6 °C · 227.6°C
- Density
- 0.9809 · 0.9809 (estimate)
- refractive index
- 1.5134 · 1.5134 (estimate)
- pka
- 10.65 · 10.65±0.18(Predicted)
- LogP
- 3.006 · 3.006 (est)
- FDA UNII
- 98 H442K3U · Z98H442K3U
- Symbol(GHS)
- 7 · GHS07,GHS05
- Signal word
- Danger
- Hazard statements
- 302 · H302-H315-H335-H318
- 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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS05
- Hazard statements
- H302-H315-H335-H318
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
Suppliers11 total
陕西缔都医药化工有限公司+86-029-81138252 +86-173 9270 1263 · [email protected]
上海创焰化学科技有限公司021-11111111 11111111111 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
上海凌凯科技股份有限公司021-58950110 13124863828 · [email protected]
Shaanxi Dideu New Materials Co. Ltd18192503167 · [email protected]
常州市力仁医药科技有限公司0519-85859058 13915836899 · [email protected]
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
广东翁江化学试剂有限公司0751-2815983 13927872582 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
深圳利斯康医药科技有限公司+86-0755-89396905 +86-18025329037 · [email protected]
Related reactions
1 records
Compound notes
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