Butyn-2-one (HCID 15018)

개요

Butyn-2-one is a methyl ketone and a terminal acetylenic compound. It is functionally related to a butan-2-one.

이름 및 식별자

우선 이름: Butyn-2-one
IUPAC: but-3-yn-2-one
영어명: 3-Butyn-2-one
분자식: C4H4O
분자량: 68.07

이름 및 동의어

3-BUTYN-2-ONE1423-60-5But-3-yn-2-oneAcetylacetyleneMethyl ethynyl ketonebutyn-2-oneEthynyl methyl ketoneAcetylethyneEINECS 215-834-2AI3-37793DTXSID3074521CHEBI:48060

이름 더 보기

BROX-002CH3COCequivCH

RefChem:571881DTXCID1034630215-834-21-Butyn-3-one1-butyne-3-one3-Butyne-2-oneMFCD000087753-Butyn-2-one (6CI,7CI,8CI,9CI)

데이터베이스 식별자

CAS: 1423-60-5
PubChem CID: 15018
DTXSID: DTXSID3074521
ChEBI: CHEBI:48060
UNII: ST682FTU47
EC Number: 215-834-2
Nikkaji: J55.495B

물성

구조 계산 물성

XLogP: 0.4
극성 표면적: 17.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 0
무거운 원자 수: 5
형식 전하: 0
복잡도: 83.1

실험 및 물리화학적 성질

SpringerMaterials PropertiesHindering potential

물리화학적 성질

끓는 점: 85 °C · 85 °C(lit.)
밀도: 0.87 g/mL · 0.87 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.406(lit.)
인화점: 28 °F · 28 °F
저장 조건: 0 · 0-6°C
물리적 상태: 액체
Specific Gravity: 0.87 · 0.870
색상: 투명한 노란색에서 주황색 갈색까지
수용성: 물에 용해됩니다.
BRN: 605353 · 605353
InChI: 1S/C4H4O/c1-3-4(2)5/h1H,2H3
InChIKey: XRGPFNGLRSIPSA-UHFFFAOYSA-N
SMILES: CC(=O)C#C
NIST: 3 · 3-Butyn-2-one(1423-60-5)
EPA: 3 · 3-Butyn-2-one (1423-60-5)

화학적 성질 · 1건

3-Butyn-2-one is a clear, colorless liquid that is chemically reactive. It has a boiling point of 85.0°C. The autoignition temperature for 3-butyn-2-one is 274°C. 3-Butyn-2-one has a penetrating odor and is a lacrimator. 3-Butyn-2-one has a penetrating odor and is a lacrimator.

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H225 (96%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P330, 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 50 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesFlam. Liq. 2 (96%)

안전 데이터

wgk: 3
rtecs: ES0875000
ridadr: UN 1992 3/PG 2
HS 번호: 29141900
risk_code: 28-36/37/38-11-15-10
hazard_code: F,T+,T,Xi,E,Xn
safety_code: 45-36/37/39-28A-26-16-43-7/8-7/9-24/25
포장분류: II
위험 등급: 3
기존화학 물질: KE-04395
F 고인화성물질: 19
위험 참고 사항: Highly Flammable/Highly Toxic
Hazard Classifications: Acute Tox. 2 OralEye Irrit. 2Flam. Liq. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 3 - Flammable liquids

화학 및 산업

응용 분야 · 2건

용도3-Butyn-2-one was used in the synthesis of clerodane diterpenoid (+/-)-sacacarin. It was used as substrate in stereoselective, conjugate arylation mediated by gallium(III) chloride leading to (E)-α,β-unsaturated ketones.

일반 설명3-Butyn-2-one undergoes asymmetric double-Michael reaction with ortho-tosylamidophenyl malonate catalyzed by chiral aminophosphines to yield indolines. It undergoes double Michael reaction with nitrogen-containing tethered diacid to give pipecolic acid derivatives.