CAS 15022-08-9 Carbonic acid, di-2-propen-1-yl ester (HCID 84764)

Names & identifiers

Preferred name: Carbonic acid, di-2-propen-1-yl ester
IUPAC: bis(prop-2-enyl) carbonate
English name: Diallyl carbonate
Molecular formula: C7H10O3
Molecular weight: 142.15

Names & synonyms

Diallyl carbonate15022-08-9Carbonic acid, di-2-propen-1-yl esterEINECS 239-106-9NSC 19177DTXSID6065846EC 239-106-9RefChem:123600DTXCID8034871239-106-9JKJWYKGYGWOAHT-UHFFFAOYSA-NAllyl carbonate

Show more names

Allyl carbonate 99%Diallyl carbonate 99%Carbonic acid diallylCarbonic acid O,O-diallyl estercarbonicacid,di-2-propenylester

Carbonic acid, di-2-propenyl esterbis(prop-2-enyl) carbonatediallylcarbonateCarbonic acid, diallyl esterMFCD00008645NSC-19177di-allyl carbonateDiallyl carbonate, 99%

Database identifiers

CAS: 15022-08-9
PubChem CID: 84764
DTXSID: DTXSID6065846
UNII: J9P2G65CXJ
EC Number: 239-106-9
Nikkaji: J23.984D

Properties

Computed structural properties

XLogP: 1.8
Topological polar surface area: 35.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 6
Heavy atoms: 10
Formal charge: 0
Complexity: 115

Physicochemical properties

Melting point: 25 °C · 25°C
Boiling point: 95 · 95-97 °C60 mm Hg(lit.)
Density: 0.991 g/mL · 0.991 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.428(lit.)
Flash point: 138 °F · 138 °F
storage temp.: 2 · 2-8°C
form: liquid
Appearance: Colorless to light yellow Liquid
InChI: 1S/C7H10O3/c1-3-5-9-7(8)10-6-4-2/h3-4H,1-2,5-6H2
InChIKey: JKJWYKGYGWOAHT-UHFFFAOYSA-N
SMILES: C=CCOC(=O)OCC=C
FDA UNII: 9 P2G65CXJ · J9P2G65CXJ
EPA Substance Registry System: -2 · Carbonic acid, di-2-propen-1-yl ester (15022-08-9)
UNSPSC Code: 12162002 · 12162002
NACRES: 23 · NA.23
Symbol(GHS): 2 · GHS02,GHS07
Signal word: Warning
Hazard statements: 226 · H226-H315-H319-H335
Precautionary statements: 210 · P210-P302+P352-P305+P351+P338
target organs: Respiratory system
PPE: Eyeshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36/37/39
RIDADR: 3272 · UN 3272 3/PG 3
WGK Germany: 3 · 3
TSCA: TSCA listed
HazardClass: 3.2 · 3.2
PackingGroup: III
Storage Class: 3 · 3 - Flammable liquids
Hazard Classifications: 2 Flam · Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3
REACH Registrations: Active

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationStatus: Active Update: 11-01-2011 https://echa.europa.eu/registration-dossier/-/registered-dossier/12613

Hazard Classes and CategoriesFlam. Liq. 3 (100%)

Safety data

PPE: Eyeshields, Gloves, type ABEK (EN14387) respirator filter
wgk: 3
tsca: TSCA listed
ridadr: UN 3272 3/PG 3
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS02,GHS07
hazard_code: Xi
safety_code: 26-36/37/39
hazard_class: 3.2
Storage Class: 3 - Flammable liquids
packing_group: III
target organs: Respiratory system
Hazard statements: H226-H315-H319-H335
REACH Registrations: Active
Hazard Classifications: Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3
Precautionary statements: P210-P302+P352-P305+P351+P338

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationCarbonic acid, di-2-propen-1-yl ester: INACTIVE

Applications · 2 items

UsesTransesterification of diallyl carbonate with glycerol in the presence of a catalyst (Pd/PPh3), generates glycerol carbonate.

General DescriptionDiallyl carbonate is an acrylating agent. Allyl carbonates are widely employed in Tsuji-Trost allylation, generating carbanion, boronate, phosphide, amide and alkoxide, nucleophiles in situ and improving reaction rates over allyl acetate. Allyl carbonates are also of considerable interest for the intramolecular decarboxylative assymetric couplings.