Basic information
- Standard SMILES
C=COCCCCOC=C- InChIKey
MWZJGRDWJVHRDV-UHFFFAOYSA-N- Molecular formula
- C8H14O2
- Average molar mass
- 142.2 g/mol
- Monoisotopic mass
- 142.09937969
Overview
VINYL ETHER (72-85) is no longer an active MH
Names & identifiers
- Preferred name
- Butanediol divinyl ether
- IUPAC
- 1,4-bis(ethenoxy)butane
- English name
- 1,4-Bis(vinyloxy)-butane
- Molecular formula
- C8H14O2
- Molecular weight
- 142.2
Names & synonyms
Show more names
Database identifiers
- CAS
3891-33-6- PubChem CID
- 77501
- DTXSID
DTXSID1063227- UNII
- 4M01W712KH
- EC Number
- 223-437-0
- Nikkaji
- J217.739K
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 77.3
Experimental & physicochemical properties
Physicochemical properties
- Melting point
- 8 °C · −8 °C(lit.)
- Boiling point
- 62 · 62-64 °C10 mm Hg(lit.)
- Density
- 0.898 g/mL · 0.898 g/mL at 25 °C(lit.)
- vapor pressure
- 1.138 hPa · 1.138hPa at 20℃
- refractive index
- 20 · n20/D 1.444(lit.)
- Flash point
- 145 °F · 145 °F
- storage temp.
- 2 · 2-8°C, stored under nitrogen
- color
- Colorless mobile liquid
- Water Solubility
- 505 mg/L · 505mg/L at 20℃
- InChI
- 1S/C8H14O2/c1-3-9-7-5-6-8-10-4-2/h3-4H,1-2,5-8H2
- InChIKey
- MWZJGRDWJVHRDV-UHFFFAOYSA-N
- SMILES
- C=COCCCCOC=C
- LogP
- 2.9 at · 2.9 at 23℃
- CAS DataBase Reference
- 3891 · 3891-33-6(CAS DataBase Reference)
- FDA UNII
- 4 M01W712KH · 4M01W712KH
- NIST Chemistry Reference
- 1 · 1,4-Bis-(vinyloxy)-butane(3891-33-6)
- EPA Substance Registry System
- 1 · Butane, 1,4-bis(ethenyloxy)- (3891-33-6)
- UNSPSC Code
- 12162002 · 12162002
- NACRES
- 23 · NA.23
- Symbol(GHS)
- 2 · GHS02,GHS07,GHS09
- Signal word
- Warning
- Hazard statements
- 226 · H226-H317-H411
- Precautionary statements
- 210 · P210-P233-P240-P273-P280-P303+P361+P353
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
- WGK Germany
- 3 · 3
- TSCA
- TSCA listed
- Storage Class
- 3 · 3 - Flammable liquids
- Hazard Classifications
- 2 Flam · Aquatic Chronic 2Flam. Liq. 3Skin Sens. 1B
- REACH Registrations
- Active
Safety & regulation
GHS classification
GHS Classification
Warning
H226 (73.6%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P272, P273, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P370+P378, P391, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 144 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: Butane, 1,4-bis(ethenyloxy)-
Status: Active Update: 27-11-2015 https://echa.europa.eu/registration-dossier/-/registered-dossier/16351
Butane, 1,4-bis(ethenyloxy)-: Does not have an individual approval but may be used under an appropriate group standard
Safety data
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- tsca
- TSCA listed
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS02,GHS07,GHS09
- hazard_code
- Xi
- safety_code
- 26-36
- Storage Class
- 3 - Flammable liquids
- Hazard statements
- H226-H317-H411
- REACH Registrations
- Active
- Hazard Classifications
- Aquatic Chronic 2Flam. Liq. 3Skin Sens. 1B
- Precautionary statements
- P210-P233-P240-P273-P280-P303+P361+P353
Chemistry & industry
Uses & manufacturing
Applications
Uses1,4-Bis(vinyloxy)-butane, which also serves as an intermediate in manufacturing higher perfume chemicals, has found some use in perfume compositions, mainly for its diffusive power and “lift” in soap fragrances, detergent perfumes, etc. It seems most conceivable that certain Vinyl ethers are the intermediate steps made by Mother Nature in the manufacture (biosynthesis) of some very interesting and important odorous chemicals, including “Rose oxide”. Many Pyran derivatives are made by means of Vinylether synthesis.
Suppliers50 total
Related reactions
Linked notes
Loading…