Basic information
- CAS
6380-23-0- Standard SMILES
C=Cc1ccc(OC)c(OC)c1- InChIKey
NJXYTXADXSRFTJ-UHFFFAOYSA-N- Molecular formula
- C10H12O2
- Average molar mass
- 164.2 g/mol
- Monoisotopic mass
- 164.08372962
Overview
1,2-Dimethoxy-4-vinylbenzene is a dimethoxybenzene.
Names & identifiers
- Preferred name
- 3,4-Dimethoxystyrene
- IUPAC
- 4-ethenyl-1,2-dimethoxybenzene
- English name
- 3,4-Dimethoxystyrene
- Molecular formula
- C10H12O2
- Molecular weight
- 164.2
Names & synonyms
3,4-Dimethoxystyrene6380-23-01,2-Dimethoxy-4-vinylbenzene4-Ethenyl-1,2-dimethoxybenzeneBenzene, 4-ethenyl-1,2-dimethoxy-4-VinylveratroleStyrene, 3,4-dimethoxy-4-Vinyl-1,2-dimethoxybenzene3,4-DIMETHOXY-1-VINYLBENZENEVeratrole, 4-vinyl-FEMA No. 313850PLH4M73W
Show more names
3,4-DiMethoxystyrol3,4-DIMETHOXYSTYRENE, TECH.3,4-dimethoxybenzenethylene
EINECS 228-962-9DTXSID6064296BENZENE, 4-ETHENYL-1,2-DIMETHOXY3,4-DIMETHOXY-1-VINYLBENZENE [FHFI]RefChem:486315DTXCID9044112228-962-93,4-dimethoxy styrene
Database identifiers
- CAS
6380-23-0- PubChem CID
- 61400
- DTXSID
DTXSID6064296- ChEBI
CHEBI:180399- UNII
- 50PLH4M73W
- EC Number
- 228-962-9
- Nikkaji
- J206.987C
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 145
Experimental & physicochemical properties
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density1.006-1.012
Flavoring AgentsEU Flavoring substances
Solubility
slightly
Slightly soluble in water
soluble (in ethanol)
Boiling Point
203.00 to 205.00 °C. @ 20.00 mm Hg
203-205 °C (20 mm Hg)
Refractive Index1.520-1.526
Physical Descriptioncolourless to yellow oily liquid; sweet, floral penetrating aroma
Physicochemical properties
- Boiling point
- 120 · 120-125 °C/10 mmHg (lit.)
- Density
- 1.109 g/mL · 1.109 g/mL at 25 °C (lit.)
- FEMA
- 3138 · 3138 | 3,4-DIMETHOXY-1-VINYLBENZENE
- refractive index
- 20 · n20/D 1.571(lit.)
- FLAVIS Number
- 4.04 · 04.040 | 1,2-Dimethoxy-4-vinylbenzene
- Flash point
- 230 °F · >230 °F
- storage temp.
- 2 · 2-8°C
- solubility
- Chloroform, Ethyl Acetate, Methanol
- form
- Oil
- color
- Clear Colourless to Pale Yellow
- Odor
- 100 % · at 100.00 %. green floral weedy cortex fruity
- Odor Type
- floral
- JECFA Number
- 1251 · 1251
- Stability
- Light Sensitive
- InChI
- 1S/C10H12O2/c1-4-8-5-6-9(11-2)10(7-8)12-3/h4-7H,1H2,2-3H3
- InChIKey
- NJXYTXADXSRFTJ-UHFFFAOYSA-N
- SMILES
- COc1ccc(C=C)cc1OC
- LogP
- 2.53 · 2.53
- Substances Added to Food (formerly EAFUS)
- 3 · 3,4-DIMETHOXY-1-VINYLBENZENE
- FDA UNII
- 50 PLH4M73W · 50PLH4M73W
- EPA Substance Registry System
- 4 · Benzene, 4-ethenyl-1,2-dimethoxy- (6380-23-0)
- UNSPSC Code
- 12162002 · 12162002
- NACRES
- 23 · NA.23
- Symbol(GHS)
- 7 · GHS07,GHS08
- Signal word
- Warning
- Hazard statements
- 319 · H319-H341-H351-H412
- Precautionary statements
- 202 · P202-P264-P273-P280-P305+P351+P338-P308+P313
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- Hazard Codes
- Xi,Xn
- Risk Statements
- 36 · 36-68-43-40
- Safety Statements
- 26 · 26-36/37
- WGK Germany
- 3 · 3
- TSCA
- TSCA listed
- HS Code
- 29093090 · 29093090
- Storage Class
- 10 · 10 - Combustible liquids
- Hazard Classifications
- 2 Carc · Aquatic Chronic 2Carc. 2Eye Irrit. 2Muta. 2Skin Sens. 1
Safety & regulation
GHS classification
GHS Classification
Warning
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: Benzene, 4-ethenyl-1,2-dimethoxy-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Benzene, 4-ethenyl-1,2-dimethoxy-: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Hazard Classes and CategoriesEye Irrit. 2 (100%)
Safety data
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29093090
- risk_code
- 36-68-43-40
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS08
- hazard_code
- Xi,Xn
- safety_code
- 26-36/37
- Storage Class
- 10 - Combustible liquids
- Hazard statements
- H319-H341-H351-H412
- Hazard Classifications
- Aquatic Chronic 2Carc. 2Eye Irrit. 2Muta. 2Skin Sens. 1
- Precautionary statements
- P202-P264-P273-P280-P305+P351+P338-P308+P313
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
General Manufacturing InformationBenzene, 4-ethenyl-1,2-dimethoxy-: INACTIVE
Applications
OccurrenceReported found in coffee, rum and buckwheat.
Uses3,4-Dimethoxy Styrene (~1% Hydroquinone as stabilizer) (cas# 6380-23-0) is a compound useful in organic synthesis.
Upstream & downstream products
Downstream products
Suppliers78 total
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
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Additional notes
DefinitionChEBI: 1,2-Dimethoxy-4-vinylbenzene is a dimethoxybenzene.
Related reactions
21 records
Compound notes
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