Dibutyl peroxydicarbonate
Basic information
- CAS
16215-49-9- Standard SMILES
CCCCOC(=O)OOC(=O)OCCCC- InChIKey
ZGPBOPXFOJBLIV-UHFFFAOYSA-N- Molecular formula
- C10H18O6
- Average molar mass
- 234.25 g/mol
- Monoisotopic mass
- 234.11033829
Overview
Butyl peroxydicarbonate appears as a colorless liquid. Shipped or stored with not more than 62% peroxide in solution of organic solvent. Crystallizes when dry. May explode from heat, shock or friction, when dry. Handle with extreme care.
Names & identifiers
- Preferred name
- Dibutyl peroxydicarbonate
- IUPAC
- butoxycarbonyloxy butyl carbonate
- English name
- Di-n-butyl peroxydicarbonate(in solution,content≤27%)
- Molecular formula
- C10H18O6
- Molecular weight
- 234.25
Names & synonyms
Peroxydicarbonic acid, dibutyl ester16215-49-9Dibutyl peroxydicarbonateEINECS 240-344-0DTXSID5075313RefChem:337359DTXCID3035212240-344-0butoxycarbonyloxy butyl carbonatedi-n-butylperoxydicarbonateDi-n-butyl peroxydicarbonateSCHEMBL35879
Show more names
Dibutyl perdicarbonaten-Butyl perdicarbonateDibutylperoxydicarbonatButyl peroxydicarbonate.Di-n-butyl perdicarbonaten-butyl peroxy dicarbonatePeroxydicarbonic acid dibutylDi-2-ethoxyethyl perdicarbonate
ZGPBOPXFOJBLIV-UHFFFAOYSA-N1,1'-[Peroxybis(carbonyloxy)]dibutaneNS00054009
Database identifiers
- CAS
16215-49-9- PubChem CID
- 61830
- DTXSID
DTXSID5075313- EC Number
- 240-344-0
- Nikkaji
- J9.218E
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 71.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 11
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 181
Experimental & physicochemical properties
Physical DescriptionButyl peroxydicarbonate appears as a colorless liquid. Shipped or stored with not more than 62% peroxide in solution of organic solvent. Crystallizes when dry. May explode from heat, shock or friction, when dry. Handle with extreme care.
Physicochemical properties
- Boiling point
- 296.56 °C · 296.56°C (rough estimate)
- Density
- 1.1351 · 1.1351 (rough estimate)
- vapor pressure
- 0.056 Pa · 0.056Pa at 25℃
- refractive index
- 1.439 · 1.4390 (estimate)
- Water Solubility
- 54.44 mg/L · 54.44mg/L at 25℃
- LogP
- 3.19 at · 3.19 at 20℃
- EPA Substance Registry System
- Peroxydicarbonic acid, dibutyl ester (16215-49-9)
- Symbol(GHS)
- 2 · GHS02,GHS07,GHS09
- Signal word
- Danger
- Hazard statements
- 242 · H242-H317-H400-H410
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
Danger
H226 (16.7%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P234, P235, P240, P241, P242, P243, P261, P264, P272, P273, P280, P301+P316, P302+P352, P303+P361+P353, P321, P331, P332+P317, P333+P317, P362+P364, P370+P378, P391, P403, P403+P235, P405, P410, P411, P420, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: Peroxydicarbonic acid, dibutyl ester
REACH registered substance: Dibutyl peroxydicarbonate (EC: 240-344-0)
DOT LabelOrganic Peroxide
Fire HazardsExcerpt from ERG Guide 148 [Organic Peroxides (Heat and Contamination Sensitive / Temperature Controlled)]:
Health HazardsExcerpt from ERG Guide 148 [Organic Peroxides (Heat and Contamination Sensitive / Temperature Controlled)]:
Reactive GroupPeroxides, Organic
Reactivity AlertsExplosive
Reactivity Profile
BUTYL PEROXYDICARBONATE decomposes violently or explosively at temperatures 0-10 °C owing to self-accelerating exothermic decomposition. Several recorded explosions were due to shock, heat or friction; amines and certain metals can cause accelerated decomposition [Bretherick, 1979 p. 156]. Danger of explosion when dry.
Chemistry & industry
Applications
General DescriptionA colorless liquid. Shipped or stored with not more than 62% peroxide in solution of organic solvent. Crystallizes when dry. May explode from heat, shock or friction, when dry. Handle with extreme care.
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Compound notes
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