4-Propyl-2,6-dimethoxyphenol
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Basic information
- CAS
6766-82-1- Standard SMILES
CCCc1cc(OC)c(O)c(OC)c1- InChIKey
YHEWWEXPVKCVFY-UHFFFAOYSA-N- Molecular formula
- C11H16O3
- Average molar mass
- 196.24 g/mol
- Monoisotopic mass
- 196.10994437
Overview
2,6-Dimethoxy-4-propylphenol is a member of phenols and a member of methoxybenzenes.
Names & identifiers
- Preferred name
- 4-Propyl-2,6-dimethoxyphenol
- IUPAC
- 2,6-dimethoxy-4-propylphenol
- English name
- Phenol, 2,6-dimethoxy-4-propyl-
- Molecular formula
- C11H16O3
- Molecular weight
- 196.24
Names & synonyms
2,6-Dimethoxy-4-propylphenol6766-82-1Phenol, 2,6-dimethoxy-4-propyl-4-Propylsyringol4-Propyl-2,6-dimethoxyphenolFEMA No. 3729GM73K8R20XDTXSID60750674-PROPYL-2,6-DIMETHOXYPHENOL [FHFI]RefChem:526576DTXCID4044953639-195-8
Show more names
syringylpropane2,6-dimethoxy-4-propyl-phenolPhenol, 2,6-dimethoxy-4-propylMFCD01366570UNII-GM73K8R20XSCHEMBL223826orb1299785orb1992215
Database identifiers
- CAS
6766-82-1- PubChem CID
- 524975
- DTXSID
DTXSID6075067- ChEBI
CHEBI:169375- UNII
- GM73K8R20X
- EC Number
- 639-195-8
- Nikkaji
- J361.535I
Properties
Computed structural propertiesFilling in
- XLogP
- 2.8
- Topological polar surface area
- 38.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 147
Experimental & physicochemical properties
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density1.071-1.076
Flavoring AgentsEU Flavoring substances
Solubility
insoluble in water; soluble in fat
miscible (in ethanol)
Boiling Point115 °C (0.38 mm Hg)
Refractive Index1.529-1.530
Physical DescriptionWater white liquid
Physicochemical properties
- Boiling point
- 285 °C · 285 °C
- Density
- 1.059 · 1.059±0.06 g/cm3(Predicted)
- FLAVIS Number
- 4.056 · 04.056 | 2,6-Dimethoxy-4-propylphenol
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 98.9% (89 of 90) of all reports.
Not Classified
Aggregated GHS information provided per 90 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: Phenol, 2,6-dimethoxy-4-propyl-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Phenol, 2,6-dimethoxy-4-propyl-: 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
- H319-H315-H335-H412
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P273-P501
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
Uses & manufacturing
Use Classification
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Applications
OccurrenceReported found in dried bonito fish, natural smoked flavors, cured pork and smoked, fatty fish.
Upstream & downstream products
Downstream products
Additional notes
DefinitionChEBI: 2,6-Dimethoxy-4-propylphenol 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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