메틸(4-)-1-펜틴

4-Methyl-1-pentyne

HCID 138948

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 7154-75-8
표준 SMILES: C#CCC(C)C
InChIKey: OXRWICUICBZVAE-UHFFFAOYSA-N
분자식: C6H10
평균 분자량: 82.14 g/mol
단동위원소 질량: 82.07825032

이름 및 식별자

우선 이름: 4-Methyl-1-pentyne
IUPAC: 4-methylpent-1-yne
현지명: 메틸(4-)-1-펜틴
영어명: 4-Methyl-1-pentyne
분자식: C6H10
분자량: 82.14

이름 및 동의어

4-Methyl-1-pentyne7154-75-8Isobutylacetylene1-Pentyne, 4-methyl-Isobutylethyne9X7KAS72KSNSC-739052-METHYL-4-PENTYNEDTXSID00221778NSC 73905RefChem:524945DTXCID30144269

이름 더 보기

4-메틸-1-펜틴메틸(4-)-1-펜틴CH≡CCH2CH(CH3)24-methylpentyne(CH3)2CHCH2CequivCH4,4-Dimethyl-1-butyne4-Methyl-1-pentyne>

627-544-74-methylpent-1-yne4-methyl-pent-1-yneNSC73905MFCD00039857Isobutyl acetylene4-Methyl-1-pentyne, 98%4-methylpentine

데이터베이스 식별자

CAS: 7154-75-8
PubChem CID: 138948
DTXSID: DTXSID00221778
UNII: 9X7KAS72KS
EC Number: 627-544-7
Nikkaji: J102.101J

물성

구조 계산 물성

XLogP: 2.1
극성 표면적: 0 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 0
회전 가능 결합 수: 1
무거운 원자 수: 6
형식 전하: 0
복잡도: 61

실험 및 물리화학적 성질

Kovats Retention Index550；552；552；553；553

물리화학적 성질

녹는점: -104.6 °C · -104.6°C
끓는 점: 61 · 61-62 °C (lit.)
밀도: 0.698 g/mL · 0.698 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.393(lit.)
인화점: 24 °F · 24 °F
저장 조건: Refrigerator
물리적 상태: 투명한 액체
색상: 무색 내지 거의 무색
수용성: 물에 불용성. 저극성 유기용매에 용해됨
BRN: 1731077 · 1731077
Henry's Law Constant: 4.5 · 4.5×10-4 mol/(m3Pa) at 25℃, Yaws (2003)
InChI: 1S/C6H10/c1-4-5-6(2)3/h1,6H,5H2,2-3H3
InChIKey: OXRWICUICBZVAE-UHFFFAOYSA-N
SMILES: CC(C)CC#C

화학적 성질

clear yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]；H304 (25.9%): May be fatal if swallowed and enters airways [Danger Aspiration hazard]

P210, P233, P240, P241, P242, P243, P280, P301+P316, P303+P361+P353, P331, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 54 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

Hazard Classes and CategoriesFlam. Liq. 2 (100%)；Asp. Tox. 1 (25.9%)

안전 데이터

wgk: 3
ridadr: UN 1993 3/PG 1
HS 번호: 29012990
risk_code: 11
hazard_code: F
safety_code: 16-33
포장분류: II
위험 등급: 3
Hazard Classifications: Flam. Liq. 2
스토리지 클래스: 3 - Flammable liquids

화학 및 산업

응용 분야 · 1건

용도4-Methyl-1-pentyne, is used as a polymer matrix together with synthesized NH2-MIL 53 metal organic framework (MOF) as a filler were used to fabricate a mixed matrix membrane (MMM). It is also used in addition reactions which are typical in alkyne reactions such as halogenation, hydrogenation, hydrohalogenation, hydration, oxidative cleavage, nitrile formation and acidity of terminal alkynes. Polymerisation and substitution reactions are also useful in chemical synthesis.