기본 정보
- 표준 SMILES
C#COCC- InChIKey
WMYNMYVRWWCRPS-UHFFFAOYSA-N- 분자식
- C4H6O
- 평균 분자량
- 70.09 g/mol
- 단동위원소 질량
- 70.04186481
이름 및 식별자
- 우선 이름
- Ether, ethyl ethynyl
- IUPAC
- ethynoxyethane
- 현지명
- 에톡시에틴
- 영어명
- Ethoxyethyne
- 분자식
- C4H6O
- 분자량
- 70.09
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
927-80-0- PubChem CID
- 61239
- DTXSID
DTXSID80239114- UNII
- B8RFM34GMK
- EC Number
- 213-164-5
- Nikkaji
- J149.801K
물성
구조 계산 물성
- XLogP
- 1.1
- 극성 표면적
- 9.2 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 5
- 형식 전하
- 0
- 복잡도
- 47.9
실험 및 물리화학적 성질
물리화학적 성질
- 끓는 점
- 53 °C · 53°C
- 밀도
- 0.732 g/mL · 0.732 g/mL at 25 °C
- 굴절률
- 20 · n20/D 1.379
- 인화점
- 20 °F · −20 °F
- 저장 조건
- 2 · 2-8°C
- 용해도
- sol alcohol, ether, benzene, hexane
- 물리적 상태
- 액체
- 색상
- 맑은 노란색
- 수용성
- 물과 약간 섞임.
- BRN
- 741882 · 741882
- Dielectric constant
- 8.05 · 8.0500000000000007
- InChI
- InChI=1S/C4H6O/c1-3-5-4-2/h1H,4H2,2H3
- InChIKey
- WMYNMYVRWWCRPS-UHFFFAOYSA-N
- SMILES
- C#COCC
- NIST
- Ethoxyacetylene(927-80-0)
화학적 성질
Clear orange to brown solution
안전 및 규제
GHS 분류
GHS Classification
Danger
H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]
P203, P210, P233, P240, P241, P242, P243, P260, P261, P264, P271, P273, P280, P301+P316, P302+P352, P303+P361+P353, P304+P340, P318, P319, P321, P331, P332+P317, P362+P364, P370+P378, P391, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Ethyne, ethoxy-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)
Hazard Classes and Categories
Flam. Liq. 2 (100%)
Flammable agents - 3rd degree, Reactive agents - 3rd degree
안전 데이터
- wgk
- 3
- rtecs
- KN9900000
- ridadr
- UN 1993 3/PG 2
- HS 번호
- 29091990
- risk_code
- 11-38-48/20-51/53-62-65-67-36/37/38-36/38
- hazard_code
- F,Xn,N
- safety_code
- 16-36/37-61-62-45-36/37/39-26-33-29-9
- 포장분류
- II
- 위험 등급
- 3
- 기존화학 물질
- KE-14090
- 위험 참고 사항
- Highly Flammable/Keep Cold
- Hazard Classifications
- Aquatic Chronic 2Asp. Tox. 1Flam. Liq. 2Repr. 2Skin Irrit. 2STOT RE 2 InhalationSTOT SE 3
- 스토리지 클래스
- 3 - Flammable liquids
화학 및 산업
응용 분야
용도Ethoxyacetylene is used in Arens-van Dorp synthesis to prepare propargyl alcohol via reaction with ketone. In organic synthesis, it undergoes [2+2] cycloaddition reactions with ketenes to give cyclobutenone derivatives. It is also used to prepare alpha, beta-unsaturated esters from ketones by following Meyer-Schuster rearrangement.Used with N-vinylamides and triflic anhydride in a direct, three-component synthesis of pyridines. Also used to prepare α, β-unsaturated esters from ketones via a Meyer-Schuster rearrangement.
제조 방법
Ethoxyethyne can be prepared from chloroacetaldehyde diethyl acetal (70%).
상·하류 제품 정보
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공급사50 곳
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