Basic information
- CAS
1124-39-6- Standard SMILES
CCc1ccc(O)c(O)c1- InChIKey
HFLGBNBLMBSXEM-UHFFFAOYSA-N- Molecular formula
- C8H10O2
- Average molar mass
- 138.16 g/mol
- Monoisotopic mass
- 138.06807956
Names & identifiers
- Preferred name
- 4-Ethyl-1,2-benzenediol
- IUPAC
- 4-ethylbenzene-1,2-diol
- English name
- 4-ETHYLCATECHOL
- Molecular formula
- C8H10O2
- Molecular weight
- 138.16
Names & synonyms
4-Ethylcatechol4-ethylbenzene-1,2-diol1124-39-64-Ethyl-1,2-benzenediol574JV8BYR2DTXSID50150029RefChem:98899DTXCID4072520214-397-54-Ethylpyrocatechol3,4-DihydroxyethylbenzeneMFCD00015847
Show more names
Dopamine Impurity 4EthylcatecholDopamine Impurit Ⅰ4-Ethylcatechol 95%Tyramine Impurity 21-Ethyl-3,4-benzenediol
1,2-Benzenediol, 4-ethyl-ETHYLPYROCATECHOL, 4-4-Ethyl-1,2-benzenediol #CHEMBL1276241AKOS016008639Benzenediol, 4-ethyl-UNII-574JV8BYR2AMY19655
Database identifiers
- CAS
1124-39-6- PubChem CID
- 70761
- DTXSID
DTXSID50150029- ChEMBL
CHEMBL1276241- ChEBI
CHEBI:179260- UNII
- 574JV8BYR2
- EC Number
- 214-397-5
- Nikkaji
- J203.362C
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 103
Experimental & physicochemical properties
Melting Point41 °C
Physical DescriptionSolid
Kovats Retention Index1392
Physicochemical properties
- Melting point
- 34 · 34-45 °C
- Boiling point
- 105 · 105-107°C 0,5mm
- Density
- 1.159 · 1.159±0.06 g/cm3(Predicted)
- Flash point
- 105 · 105-107°C/0.5mm
- storage temp.
- 2 · 2-8°C
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- 9.9 · 9.90±0.10(Predicted)
- color
- White to Off-White
- BRN
- 2042062 · 2042062
- Stability
- Hygroscopic
Safety & regulation
GHS classification
GHS Classification
Danger
H302 (90.7%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (90.7%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
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 43 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (90.7%)；Skin Irrit. 2 (100%)；Eye Dam. 1 (90.7%)；STOT SE 3 (100%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- hs_code
- 29072990
- risk_code
- 36/37/38-41-37/38-22
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- hazard_code
- Xn
- safety_code
- 26-36/37/39-39
- Storage Class
- 11 - Combustible Solids
- target organs
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm；Extracellular
Applications
Uses4-Ethylcatechol is one of the main phenolic off-flavour markers in French ciders.
Upstream & downstream products
Downstream products
Suppliers90 total
上海康恩博医药科技有限公司17510465506 · [email protected]
国药集团化学试剂有限公司86-21-63210123 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
广州隽唐科技有限公司020-36607679 13502246435 · [email protected]
Related reactions
3 records
Compound notes
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