4-Ethylsyringol
Basic information
- CAS
14059-92-8- Standard SMILES
CCc1cc(OC)c(O)c(OC)c1- InChIKey
PJWDIHUFLXQRFF-UHFFFAOYSA-N- Molecular formula
- C10H14O3
- Average molar mass
- 182.22 g/mol
- Monoisotopic mass
- 182.0942943
Overview
4-Ethyl-2,6-dimethoxyphenol is a member of phenols and a member of methoxybenzenes.
Names & identifiers
- Preferred name
- 4-Ethylsyringol
- IUPAC
- 4-ethyl-2,6-dimethoxyphenol
- English name
- Phenol, 4-ethyl-2,6-dimethoxy-
- Molecular formula
- C10H14O3
- Molecular weight
- 182.22
Names & synonyms
4-Ethyl-2,6-dimethoxyphenol4-Ethylsyringol2,6-Dimethoxy-4-ethylphenolPhenol, 4-ethyl-2,6-dimethoxy-FEMA No. 36714-Ethylpyrogallol dimethyl etherPhenol, 4-ethyl-2,6-dimethoxy1-Ethyl-3,5-dimethoxy-4-hydroxybenzene4-Hydroxy-3,5-dimethoxyethylbenzene4-Hydroxy-3,5-dimethoxyphenylethane4-ethyl-2,6-dimethoxy-phenolUNII-1T2NOI6FZ9
Show more names
henol, 4-ethyl-2,6-dimethoxy-2,6-dimethoxy-4-ethylbenzenephenol
1T2NOI6FZ9DTXSID5075072FEMA 36714-Ethyl-2,6-dimethoxyphenol, 9CIPHENOL, 2,6-DIMETHOXY-4-ETHYL-4-ETHYL-2,6-DIMETHOXYPHENOL [FHFI]RefChem:98924DTXCID1034557
Database identifiers
- CAS
14059-92-8- PubChem CID
- 61712
- DTXSID
DTXSID5075072- ChEBI
CHEBI:179568- UNII
- 1T2NOI6FZ9
- EC Number
- 639-043-0
- Nikkaji
- J633.520I
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 38.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 135
Experimental & physicochemical properties
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density1.075-1.080
Flavoring AgentsEU Flavoring substances
Solubility
insoluble in water; soluble in fat
miscible (in ethanol)
Boiling Point
106.00 °C. @ 2.00 mm Hg
106 °C (0.2 mm Hg)
Refractive Index1.536-1.537
Physical DescriptionWater white liquid
Physicochemical properties
- Boiling point
- 285 ℃ · 285℃
- Density
- 1.08 · 1.080
- FLAVIS Number
- 4.052 · 04.052 | 4-Ethyl-2,6-dimethoxyphenol
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
This chemical does not meet GHS hazard criteria for 97.8% (89 of 91) of all reports.
Not Classified
Aggregated GHS information provided per 91 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: Phenol, 4-ethyl-2,6-dimethoxy-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Phenol, 4-ethyl-2,6-dimethoxy-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesNot Classified
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H319-H335-H315-H312
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P280-P302+P352-P312-P322-P363-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Uses & manufacturing
Use Classification
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Applications
OccurrenceReported found in beer, dried bonito fish, smoked pork belly, smoked sausage, smoked salmon, sherry, natural smoke flavor, rum, coffee, wort and cuttlefish.
Upstream & downstream products
Downstream products
Additional notes
DefinitionChEBI: 4-Ethyl-2,6-dimethoxyphenol is a member of phenols and a member of methoxybenzenes.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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