디알릴탄산염

디알릴탄산염 · Allyl carbonate · Diallyl carbonate · Allyl carbonate 99% · Diallyl carbonate 99% · Carbonic acid diallyl · bis(prop-2-enyl) carbonate · Carbonic acid, diallyl ester

https://huagongshe.com/ko/chemical/84764

식별자 및 물리적 특성

CAS No.	15022-08-9
분자식	C7H10O3
평균 분자량	142.15 g/mol
단동위원소 질량	142.06299418 g/mol
SMILES	C=CCOC(=O)OCC=C
InChIKey	JKJWYKGYGWOAHT-UHFFFAOYSA-N
PubChem CID	84764
EC No.	239-106-9
DTXSID	DTXSID6065846
현지명	디알릴탄산염

화학 및 물리적 성질

XLogP	1.8
극성 표면적	35.5
수소 결합 공여자 수	0
수소 결합 수용자 수	3
회전 가능 결합 수	6
무거운 원자 수	10
형식 전하	0
복잡도	115
녹는점	25°C
끓는 점	95-97 °C60 mm Hg(lit.)
밀도	0.991 g/mL at 25 °C(lit.)
굴절률	n20/D 1.428(lit.)
인화점	138 °F
저장 조건	2-8°C
물리적 상태	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
EPA	Carbonic acid, di-2-propen-1-yl ester (15022-08-9)

안전 및 규제

GHS 분류	WarningH226 (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.
규제 정보	Status: Active Update: 11-01-2011 https://echa.europa.eu/registration-dossier/-/registered-dossier/12613
Hazard Classes and Categories	Flam. Liq. 3 (100%)
수질 위해 등급(WGK)	3
TSCA 등재 상태	TSCA listed
운송 번호(UN)	UN 3272 3/PG 3
위험 문구(R)	36/37/38
위험 표시	Xi
안전 문구(S)	26-36/37/39
포장분류	III
위험 등급	3.2Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3
기존화학 물질	KE-04713
저장 분류	3 - Flammable liquids

용도

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

일반 설명

Diallyl 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.