Basic information
- Standard SMILES
CC1(C)CO1- InChIKey
GELKGHVAFRCJNA-UHFFFAOYSA-N- Molecular formula
- C4H8O
- Average molar mass
- 72.11 g/mol
- Monoisotopic mass
- 72.05751488
Overview
2,2-Dimethyloxirane is an epoxide.
Names & identifiers
- Preferred name
- Isobutylene oxide
- IUPAC
- 2,2-dimethyloxirane
- English name
- Isobutylene oxide
- Molecular formula
- C4H8O
- Molecular weight
- 72.11
Names & synonyms
Isobutylene oxide558-30-5Isobutene oxide1,2-EpoxyisobutaneIsobutylene epoxideIsobutyleneoxideOxirane, 2,2-dimethyl-2-Methyl-1,2-epoxypropane1,2-Isobutylene oxide1,1-Dimethylethylene oxide2-Methyl-1-propene oxidePropane, 1,2-epoxy-2-methyl-
Show more names
2,2-DIMETHYLOXIRANE1,2-EPOXY-2-METHYLPROPANEisobutyleneepoxide1,1-DIMETHYLOXIRANE2-METHYLPROPYLENE OXIDEisobuteneoxide
UJ14MJ1WG0NSC-24249CCRIS-4380DTXSID7060330RefChem:1491122-MEPDTXCID6041971209-193-8
Database identifiers
- CAS
558-30-5- PubChem CID
- 11208
- DTXSID
DTXSID7060330- ChEBI
CHEBI:193943- UNII
- UJ14MJ1WG0
- EC Number
- 209-193-8
- Nikkaji
- J2.669G
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 12.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 5
- Formal charge
- 0
- Complexity
- 47.6
Experimental & physicochemical properties
PolymersPlastics & Rubber -> Epoxides
SpringerMaterials PropertiesSchoenflies notation
Solubility58 mg/mL at 20 °C
Vapor Pressure387.0 [mmHg]
Physical Description
Liquid
Colorless liquid; [Alfa Aesar MSDS]
Physicochemical properties
- Boiling point
- 50 · 50-51 °C(lit.)
- Density
- 0.812 g/mL · 0.812 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.374(lit.)
- Flash point
- 33 °F · 33 °F
- storage temp.
- Flammables area
- solubility
- 58 g/l · 58g/l
- form
- Liquid
- Specific Gravity
- 0.82 · approximate 0.82 (20℃)
- color
- Clear colorless
- explosive limit
- 1.5 · 1.5-13.5%(V)
- Water Solubility
- 58 g/L · 58 g/L (20 ºC)
- Sensitive
- Moisture Sensitive
- BRN
- 102408 · 102408
- Henry's Law Constant
- 2.9 · 2.9×10-2 mol/(m3Pa) at 25℃, Ebert et al. (2023)
- InChI
- 1S/C4H8O/c1-4(2)3-5-4/h3H2,1-2H3
- InChIKey
- GELKGHVAFRCJNA-UHFFFAOYSA-N
- SMILES
- CC1(C)CO1
- CAS DataBase Reference
- 558 · 558-30-5(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 14 MJ1WG0 · UJ14MJ1WG0
- NIST Chemistry Reference
- 2 · Oxirane, 2,2-dimethyl-(558-30-5)
- EPA Substance Registry System
- 2 · Oxirane, 2,2-dimethyl- (558-30-5)
- UNSPSC Code
- 12162002 · 12162002
- NACRES
- 23 · NA.23
- Symbol(GHS)
- 2 · GHS02,GHS05,GHS08
- Signal word
- Danger
- Hazard statements
- 225 · H225-H314-H341-H351
- Precautionary statements
- 202 · P202-P210-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338
- PPE
- Eyeshields, Faceshields, Gloves
- Hazard Codes
- F,Xi,Xn,C
- Risk Statements
- 11 · 11-36/37/38-20/21/22-34
- Safety Statements
- 16 · 16-26-36-36/37/39-45
- RIDADR
- 1993 · UN 1993 3/PG 1
- WGK Germany
- 2 · 2
- RTECS
- 3580000 · TZ3580000
- TSCA
- TSCA listed
- HazardClass
- 3 · 3
- PackingGroup
- II
- HS Code
- 29109000 · 29109000
- Storage Class
- 3 · 3 - Flammable liquids
- Hazard Classifications
- 2 Flam · Carc. 2Flam. Liq. 2Muta. 2Skin Corr. 1C
- REACH Registrations
- Active
- Limited Quantities
- 1 L · 1.0 L (0.3 gallon) (liquid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
Safety & regulation
GHS classification
GHS Classification
Danger
H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]
P203, P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P318, P319, P321, P363, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 207 reports by companies from 14 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Oxirane, 2,2-dimethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Oxirane, 2,2-dimethyl- 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)
Status: Active Update: 11-10-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/11246
Hazards SummaryAn irritant; [Alfa Aesar MSDS] See Propylene oxide.
Hazard Classes and CategoriesFlam. Liq. 2 (100%)
Safety data
- PPE
- Eyeshields, Faceshields, Gloves
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- TZ3580000
- ridadr
- UN 1993 3/PG 1
- hs_code
- 29109000
- risk_code
- 11-36/37/38-20/21/22-34
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS05,GHS08
- hazard_code
- F,Xi,Xn,C
- safety_code
- 16-26-36-36/37/39-45
- hazard_class
- 3
- Storage Class
- 3 - Flammable liquids
- packing_group
- II
- Hazard statements
- H225-H314-H341-H351
- Limited Quantities
- 1.0 L (0.3 gallon) (liquid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
- REACH Registrations
- Active
- Hazard Classifications
- Carc. 2Flam. Liq. 2Muta. 2Skin Corr. 1C
- Precautionary statements
- P202-P210-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Uses & manufacturing
U.S. Production2023: 1,000,000 - <8,500,000 lb
Industry UsesIntermediate
General Manufacturing Information
Petrochemical Manufacturing
Oxirane, 2,2-dimethyl-: ACTIVE
Applications
UsesIsobutylene oxide is employed as an initiator for the preparation of polyisobutylenes. It finds application in the synthesis of 1-tert-butylperoxy-2-methyl-propan-2-ol.
UsesIsobutylene oxide is an epoxide that is used as an initiator in the synthesis of polyisobutylenes.
Upstream & downstream products
Downstream products
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Additional notes
DefinitionChEBI: 2,2-Dimethyloxirane is an epoxide.
Related reactions
286 records
Linked notes
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