Basic information
- CAS
872-36-6- Standard SMILES
O=c1occo1- InChIKey
VAYTZRYEBVHVLE-UHFFFAOYSA-N- Molecular formula
- C3H2O3
- Average molar mass
- 86.05 g/mol
- Monoisotopic mass
- 86.00039392
Names & identifiers
- Preferred name
- Vinylene carbonate
- IUPAC
- 1,3-dioxol-2-one
- English name
- Vinylene carbonate
- Molecular formula
- C3H2O3
- Molecular weight
- 86.05
Names & synonyms
VINYLENE CARBONATE1,3-Dioxol-2-one872-36-61X0ZZF9WFVNSC-20980NSC-47201DTXSID1074888LBG-84922RefChem:901949DTXCID8048573212-825-5Vinyl carbonate
Show more names
VCVinylene carboteThe ethylene carbonateVINYLENE CARBONATE (VC)1-methyl-2,3-dihydro-1H-phosphole 1-oxideVinylene carbonate, 99%, water ≤50 ppm, stabilized with 90 ppm BHT1,3-Dioxo-2-oneWITH HYDROQUINONE
2H-1,3-dioxol-2-oneCarbonic acid, cyclic vinylene esterMFCD00005380C3H2O3Vinylene carbonate (stabilized with BHT)WLN: T5OVOJ1,3-Dioxol-2-one,VC25747-73-3
Database identifiers
- CAS
872-36-6- PubChem CID
- 13385
- DTXSID
DTXSID1074888- UNII
- 1X0ZZF9WFV
- EC Number
- 212-825-5
- Nikkaji
- J55.532K
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 84.2
Experimental & physicochemical properties
SpringerMaterials PropertiesSchoenflies notation
Physical DescriptionLiquid; Dry Powder
Physicochemical properties
- Melting point
- 19 · 19-22 °C(lit.)
- Boiling point
- 162 °C · 162 °C(lit.)
- Density
- 1.36 g/mL · 1.360 g/mL at 20 °C
- vapor pressure
- 3.35 hPa · 3.35hPa at 25℃
- refractive index
- 20 · n20/D 1.421(lit.)
- Flash point
- 163 °F · 163 °F
- storage temp.
- 2 · 2-8°C
- solubility
- 11.5 g/100 · 11.5 g/100 mL
- form
- Liquid
- Specific Gravity
- 1.355 · 1.355
- color
- Colorless to pale yellow
- Water Solubility
- 11.5 g/100 · 11.5 g/100 mL
- Sensitive
- Moisture Sensitive
- BRN
- 105683 · 105683
- InChI
- 1S/C3H2O3/c4-3-5-1-2-6-3/h1-2H
- InChIKey
- VAYTZRYEBVHVLE-UHFFFAOYSA-N
- SMILES
- O=C1OC=CO1
- LogP
- -0.36 at · -0.36 at 20℃
- CAS DataBase Reference
- 872 · 872-36-6(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 1 X0ZZF9WFV · 1X0ZZF9WFV
- NIST Chemistry Reference
- 1 · 1,3-Dioxol-2-one(872-36-6)
- EPA Substance Registry System
- 1 · 1,3-Dioxol-2-one (872-36-6)
- UNSPSC Code
- 26111700 · 26111700
- NACRES
- 23 · NA.23
- Symbol(GHS)
- 5 · GHS05,GHS06,GHS08,GHS09
- Signal word
- Danger
- Hazard statements
- 302 · H302-H311-H315-H317-H318-H373-H411
- Precautionary statements
- 273 · P273-P280-P301+P312+P330-P302+P352+P312-P305+P351+P338+P310-P314
- target organs
- Liver,Stomach
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- Hazard Codes
- Xi,N,T
- Risk Statements
- 43 · 43-36-51/53-48/22-41-38-24-22
- Safety Statements
- 37 · 37/39-26-24-61-45-36/37/39
- RIDADR
- 2810 · UN2810 - class 6.1 - PG 3 - EHS - Toxic, liquids, organic, n.o.s., HI: all
- WGK Germany
- 3 · 3
- RTECS
- 3325000 · FG3325000
- TSCA
- TSCA listed
- HazardClass
- 6.1 · 6.1
- HS Code
- 29209090 · 29209090
- Storage Class
- 6.1 C · 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- Hazard Classifications
- 3 DermalAcute · Acute Tox. 3 DermalAcute Tox. 4 OralAquatic Chronic 2Eye Dam. 1Skin Irrit. 2Skin Sens. 1STOT RE 2 Oral
- REACH Registrations
- Active
- Limited Quantities
- 5 L · 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 0.4% (1 of 263) of reports.
Danger
H302 (99.2%): Harmful if swallowed [Warning Acute toxicity, oral]
P203, P260, P261, P262, P264, P264+P265, P270, P272, P273, P280, P301+P317, P302+P352, P305+P354+P338, P316, P317, P318, P319, P321, P330, P332+P317, P333+P317, P361+P364, P362+P364, P391, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 263 reports by companies from 18 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
1,3-Dioxol-2-one is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,3-Dioxol-2-one are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Status: Active Update: 19-04-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/10740
Peroxide Forming Chemical
Vinylene carbonate
D: Other compounds that may form peroxides
Kelly
An account of a container bursting in storage. Could be due to carbon dioxide evolution, but other factors cannot be ruled out. See Bretherick's.
Hazard Classes and CategoriesAcute Tox. 4 (99.2%)
Safety data
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- FG3325000
- ridadr
- UN2810 - class 6.1 - PG 3 - EHS - Toxic, liquids, organic, n.o.s., HI: all
- hs_code
- 29209090
- risk_code
- 43-36-51/53-48/22-41-38-24-22
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS06,GHS08,GHS09
- hazard_code
- Xi,N,T
- safety_code
- 37/39-26-24-61-45-36/37/39
- hazard_class
- 6.1
- Storage Class
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- target organs
- Liver,Stomach
- Hazard statements
- H302-H311-H315-H317-H318-H373-H411
- Limited Quantities
- 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
- REACH Registrations
- Active
- Hazard Classifications
- Acute Tox. 3 DermalAcute Tox. 4 OralAquatic Chronic 2Eye Dam. 1Skin Irrit. 2Skin Sens. 1STOT RE 2 Oral
- Precautionary statements
- P273-P280-P301+P312+P330-P302+P352+P312-P305+P351+P338+P310-P314
Chemistry & industry
Uses & manufacturing
U.S. Production2023: 1,000,000 - <2,500,000 lb
Consumer UsesSolvent
Industry UsesSolvent
General Manufacturing Information
Transportation Equipment Manufacturing
1,3-Dioxol-2-one: ACTIVE
Applications
UsesVinylene carbonate is used as an additive to electrolyte solutions for anode side Lithiumion batteries. It also acts as a sealant to seal at least a portion of the silicon-polyvinyl acid interface. It is further used for great improvement of high temperature performance of the battery.
General DescriptionThis product has been enhanced for energy efficiency. Carbonate building block offered as a solution in ethyl acetate for more convenient handling. Vinylene carbonate may also be used as a dienophile in Diels-Alder reactions.
Preparation methods
PreparationVinylene carbonate is produced by the known method by eliminating hydrogen chloride from chloroethylene glycol carbonate by means of tertiary amines, in particular triethylamine. Chloroethylene glycol carbonate is obtained by free radical chlorination of ethylene glycol carbonate by means of chlorine or sulphuryl chloride. This synthesis was published for the first time in 1953 by Newman and Addor (JACS, 1953, page 1263; JACS 1955, page 3789).
Upstream & downstream products
Upstream raw materials
Downstream products
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Related reactions
13 records
Compound notes
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