(E)-3-메틸펜트-2-엔-4-인-1-올

(E)-3-메틸펜트-2-엔-4-인-1-올 · Enynic Alcohol · trans-3-Methyl-2-penten-4-ynol · (E)-3-Methylpent-3-en-1-yn-5-ol · (E)-3-methyl-1-pent-2-en-4-ynol · (E)-3-Methylpent-2-en-4-yn-1-ol · (E)-3-Methyl-2-penten-4-yn-1-ol · Trans-3-Methyl-2-Penten-4-Yn-1-Ol

https://huagongshe.com/ko/chemical/5367604

식별자 및 물리적 특성

CAS No.	6153-06-6
분자식	C6H8O
평균 분자량	96.13 g/mol
단동위원소 질량	96.05751487 g/mol
SMILES	C#C/C(C)=C/CO
InChIKey	ZSJHASYJQIRSLE-GQCTYLIASA-N
PubChem CID	5367604
EC No.	228-169-8
DTXSID	DTXSID501334885
현지명	(E)-3-메틸펜트-2-엔-4-인-1-올

화학 및 물리적 성질

XLogP	0.9
극성 표면적	20.2
수소 결합 공여자 수	1
수소 결합 수용자 수	1
회전 가능 결합 수	2
무거운 원자 수	7
형식 전하	0
복잡도	113
끓는 점	171°C
밀도	0.940
굴절률	1.4445-1.4465
인화점	65°C
pKa(산도 계수)	13.80±0.10(Predicted)
InChI	InChI=1S/C6H8O/c1-3-6(2)4-5-7/h1,4,7H,5H2,2H3/b6-4+
InChIKey	ZSJHASYJQIRSLE-GQCTYLIASA-N
SMILES	C(O)/C=C(\C)/C#C

안전 및 규제

GHS 분류	DangerH314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory.
규제 정보	REACH registered substance: (E)-3-methylpent-2-en-4-yn-1-ol (EC: 228-169-8)
Hazard Classes and Categories	Skin Corr. 1B (100%)
운송 번호(UN)	UN 1760
위험 문구(R)	22-36/37/38
위험 표시	Xn
안전 문구(S)	26-37/39
기존화학 물질	KE-24778

용도

(E)-3-Methylpent-2-en-4-yn-1-ol is a terminal alkyne and a useful building block for organic synthesis.