4-Allyl-2,6-dimethoxyphenol
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Basic information
- CAS
6627-88-9- Standard SMILES
C=CCc1cc(OC)c(O)c(OC)c1- InChIKey
FWMPKHMKIJDEMJ-UHFFFAOYSA-N- Molecular formula
- C11H14O3
- Average molar mass
- 194.23 g/mol
- Monoisotopic mass
- 194.0942943
Overview
4-allyl-2,6-dimethoxyphenol is a member of the class of phenols that is phenol substituted by an allyl group at position 4 and methoxy groups at positions 2 and 6 respectively. It is a phenylpropanoid, a member of phenols and a dimethoxybenzene.
Names & identifiers
- Preferred name
- 4-Allyl-2,6-dimethoxyphenol
- IUPAC
- 2,6-dimethoxy-4-prop-2-enylphenol
- English name
- 4-ALLYL-2,6-DIMETHOXYPHENOL
- Molecular formula
- C11H14O3
- Molecular weight
- 194.23
Names & synonyms
4-Allyl-2,6-dimethoxyphenol6627-88-9Methoxyeugenol4-Allylsyringol2,6-dimethoxy-4-prop-2-enylphenol2,6-DimethoxychavicolPhenol, 2,6-dimethoxy-4-(2-propenyl)-2,6-Dimethoxy-4-allylphenolPhenol, 4-allyl-2,6-dimethoxy-2,6-dimethoxy-4-(prop-2-en-1-yl)phenol4-Hydroxy-3,5-dimethoxyallylbenzene2,6-dimethoxy-4-(2-propenyl)phenol
Show more names
FEMA 3655TIMTEC-BB SBB0036074-allyl-2,6-dimetoxyphenolPhenol,2,6-dimethoxy-4-(2-
FEMA No. 36556-methoxyeugenol8VF00YWP89CHEBI:86562NSC-16953NSC-60246DTXSID30216470RefChem:97650
Database identifiers
- CAS
6627-88-9- PubChem CID
- 226486
- DTXSID
DTXSID30216470- ChEMBL
CHEMBL2059292- ChEBI
CHEBI:86562
Properties
Computed structural propertiesFilling in
- XLogP
- 2.6
- 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
- 167
Experimental & physicochemical properties
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density1.089-1.095
Flavoring AgentsEU Flavoring substances
Solubility
insoluble in water; soluble in fat
miscible (in ethanol)
Boiling Point
168.00 to 169.00 °C. @ 11.00 mm Hg
168 °C (11 mm Hg)
Refractive Index1.548-1.550
Physical DescriptionClear pale yellow liquid, roasted meaty bacon odour
Physicochemical properties
- Boiling point
- 168 · 168-169 °C/11 mmHg (lit.)
- Density
- 1.092 g/mL · 1.092 g/mL at 25 °C (lit.)
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
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 213 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: Phenol, 2,6-dimethoxy-4-(2-propenyl)-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Phenol, 2,6-dimethoxy-4-(2-propenyl)-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- hs_code
- 29095000
- risk_code
- 36/37/38-43
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-37/39-36/37
- Storage Class
- 10 - Combustible liquids
- target organs
- Respiratory system
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
DescriptionA clear liquid with a roasted, burnt, meaty, bacon aroma. It is used as a flavoring agent or adjuvant.
OccurrenceReported found in nutmeg, smoked pork belly, smoked sausage, natural smoked flavor banana, sherry and red wine
Uses4-Allyl-2,6-dimethoxyphenol is used as a flavoring agent or adjuvant. Also used to produce 2,6-Dimethoxy-4-propyl-phenol.
Upstream & downstream products
Downstream products
Additional notes
DefinitionChEBI: 4-allyl-2,6-dimethoxyphenol is a member of the class of phenols that is phenol substituted by an allyl group at position 4 and methoxy groups at positions 2 and 6 respectively. It is a member of phenols, a dimethoxybenzene and a phenylpropanoid.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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