디알릴탄산염

Carbonic acid, di-2-propen-1-yl ester

HCID 84764CAS 15022-08-9

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: C=CCOC(=O)OCC=C
InChIKey: JKJWYKGYGWOAHT-UHFFFAOYSA-N
분자식: C7H10O3
평균 분자량: 142.15 g/mol
단동위원소 질량: 142.06299418

이름 및 식별자

우선 이름: Carbonic acid, di-2-propen-1-yl ester
IUPAC: bis(prop-2-enyl) carbonate
현지명: 디알릴탄산염
영어명: Diallyl carbonate
분자식: C7H10O3
분자량: 142.15

이름 및 동의어

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

이름 더 보기

디알릴탄산염Allyl 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%

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: 1.8
극성 표면적: 35.5 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 6
무거운 원자 수: 10
형식 전하: 0
복잡도: 115

물리화학적 성질

녹는점: 25 °C · 25°C
끓는 점: 95 · 95-97 °C60 mm Hg(lit.)
밀도: 0.991 g/mL · 0.991 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.428(lit.)
인화점: 138 °F · 138 °F
저장 조건: 2 · 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: -2 · Carbonic acid, di-2-propen-1-yl ester (15022-08-9)

안전 및 규제

GHS 분류

GHS Classification · 4건

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.

유해성 정보

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

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

안전 데이터

wgk: 3
tsca: TSCA listed
ridadr: UN 3272 3/PG 3
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36/37/39
포장분류: III
위험 등급: 3.2
기존화학 물질: KE-04713
Hazard Classifications: Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3
스토리지 클래스: 3 - Flammable liquids

화학 및 산업

용도 및 제조

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

응용 분야 · 2건

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

일반 설명Diallyl 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.