Basic information
- CAS
7784-67-0- Standard SMILES
CC=Cc1ccc(OCC)c(OC)c1- InChIKey
AOSKXPFBGRLCEG-UHFFFAOYSA-N- Molecular formula
- C12H16O2
- Average molar mass
- 192.25 g/mol
- Monoisotopic mass
- 192.11502975
Names & identifiers
- Preferred name
- Benzene, 1-ethoxy-2-methoxy-4-(1-propen-1-yl)-
- IUPAC
- 1-ethoxy-2-methoxy-4-prop-1-enylbenzene
- English name
- 2-methoxy-4-prop-1-enylphenetole
- Molecular formula
- C12H16O2
- Molecular weight
- 192.25
Names & synonyms
7784-67-0Benzene, 1-ethoxy-2-methoxy-4-(1-propen-1-yl)-DTXSID60864125RefChem:199743DTXCID90812674Benzene, 1-ethoxy-2-methoxy-4-(1-propenyl)-1-ethoxy-2-methoxy-4-prop-1-enylbenzeneSCHEMBL356256SCHEMBL29655344AOSKXPFBGRLCEG-UHFFFAOYSA-N1-(4'-ethoxy-3'-methoxyphenyl)propeneDB-285260
Show more names
Ethyl-iso-eugenolISOEUGENYLETHYLETHERisoeugenyl ether etherEthyl isoeugenyl ether2-methoxy-4-prop-1-enylphenetole2-Methoxy-4-(1-propenyl)phenylethyl ether(E)-1-ethoxy-2-methoxy-4-(prop-1-en-1-yl)benzene
NS00044220
Database identifiers
- CAS
7784-67-0- PubChem CID
- 285286
- DTXSID
DTXSID60864125- EC Number
- 232-072-6
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 177
Experimental & physicochemical properties
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Flavoring AgentsEU Flavoring substances
Solubility
Almost insoluble in water, miscible in oils
soluble (in ethanol)
Physical DescriptionCrystalline solid; mild, sweet, balsamic-carnation-like, warm and floral aroma with faintly spicy, vanilla-like undertone
Physicochemical properties
- FEMA
- 2472 · 2472 | ISOEUGENYL ETHYL ETHER
- FLAVIS Number
- 4.017 · 04.017 | 1-Ethoxy-2-methoxy-4-(prop-1-enyl)benzene
- solubility
- Practically insoluble in water, soluble in alcohol and oils.
- form
- White or colourless crystals.
- Odor
- 100 % · at 100.00 %. spicy carnation clove
- Odor Type
- spicy
- JECFA Number
- 1267 · 1267
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
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P264+P265, P272, P280, P302+P352, P305+P351+P338, P321, P333+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Warning
H317: May cause an allergic skin reaction [Warning Sensitization, Skin]
Hazard information
Regulatory Information
Chemical: Benzene, 1-ethoxy-2-methoxy-4-(1-propenyl)-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Benzene, 1-ethoxy-2-methoxy-4-(1-propenyl)-: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - Benzene, 1-ethoxy-2-methoxy-4-(1-propenyl)-: Environment tier I assessment
Hazard Classes and Categories
Skin Sens. 1 (100%)
Carcinogenicity - category 2
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H317
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
Chemistry & industry
Uses & manufacturing
Use ClassificationFlavoring Agents -> JECFA Flavorings Index
General Manufacturing InformationBenzene, 1-ethoxy-2-methoxy-4-(1-propen-1-yl)-: INACTIVE
Applications
DescriptionIsoeugenyl ethyl ether has an odor similar to isoeugenol. Prepared from isoeugenol by boiling with ethyl p-toluenesulfonate.
UsesEthylisoeugenol is a prenylated dehydrozingerone analog, a potent potential chemopreventive agent for cancer.
Preparation methods
PreparationFrom isoeugenol by boiling with ethyl p-toluenesulfonate.
Upstream & downstream products
Downstream products
Suppliers5 total
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
陕西缔都医药化工有限公司+86-29-81139210 +86-17392587031 · [email protected]
BOC Sciences[email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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