헥센(-5)-1-올

헥센(-5)-1-올 · 5-헥센-1-올 · Hex-5-en-1-ol · 5-hexenol · 5-HEXEN-1-OL · 1-Hexen-6-ol · 5-hexeen-1-ol · 5-Hexen-1-ol>5-Hexen-1-ol,99%

https://huagongshe.com/ko/chemical/69963

식별자 및 물리적 특성

CAS No.	821-41-0
분자식	C6H12O
평균 분자량	100.16 g/mol
단동위원소 질량	100.088815 g/mol
SMILES	C=CCCCCO
InChIKey	UIZVMOZAXAMASY-UHFFFAOYSA-N
PubChem CID	69963
EC No.	212-477-4
DTXSID	DTXSID2074950
현지명	헥센(-5)-1-올

화학 및 물리적 성질

XLogP	1.4
극성 표면적	20.2
수소 결합 공여자 수	1
수소 결합 수용자 수	1
회전 가능 결합 수	4
무거운 원자 수	7
형식 전하	0
복잡도	41.4
Polymers	Other Classes -> Alcohols and Polyols, Other
SpringerMaterials Properties	Optical coefficient
식품 첨가물	FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
밀도	0.845-0.8490.834 g/mL at 25 °C (lit.)
용해도	Soluble in water and most fixed oilsSoluble (in ethanol)18.6g/L
끓는 점	154-155 °C78-80 °C/25 mmHg (lit.)
굴절률	1.434-1.437n20/D 1.435(lit.)
Physical Description	Clear colorless liquid[Sigma-Aldrich MSDS]Colourless liquidGreen aroma
녹는점	<-20°C
FEMA	4351 \| 5-HEXENOL
인화점	117 °F
저장 조건	Sealed in dry,2-8°C
물리적 상태	액체
pKa(산도 계수)	15.17±0.10(Predicted)
색상	무색의
비중	0.846
냄새	녹색
pH	7 (H2O)
향취 유형	녹색
생물학적 소스	synthetic
용해도	물과 섞일 수 있습니다.
JECFA Number	1623
BRN	1236458
안정성	휘발성 물질
InChI	1S/C6H12O/c1-2-3-4-5-6-7/h2,7H,1,3-6H2
InChIKey	UIZVMOZAXAMASY-UHFFFAOYSA-N
SMILES	OCCCCC=C
LogP(분배 계수)	1.50
EPA	5-Hexen-1-ol (821-41-0)

화학적 성질

Clear, colorless liquid with a green aroma.

안전 및 규제

GHS 분류	This chemical does not meet GHS hazard criteria for 26.3% (55 of 209) of reports.DangerH226 (36.4%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 209 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
규제 정보	PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.Status: Active Update: 30-11-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/237645-Hexen-1-ol: Does not have an individual approval but may be used under an appropriate group standard
유해성 요약	May cause irritation[Sigma-Aldrich MSDS] See 3-Buten-2-ol.
Hazard Classes and Categories	Flam. Liq. 3 (36.4%)
수질 위해 등급(WGK)	1
TSCA 등재 상태	TSCA listed
운송 번호(UN)	UN 1987 3/PG 3
관세 코드	29052290
위험 문구(R)	10
위험 표시	F
안전 문구(S)	16-24/25
포장분류	III
위험 등급	3Eye Dam. 1Flam. Liq. 3Skin Corr. 1B
기존화학 물질	KE-19869
F 고인화성물질	9
위험 참고 사항	Flammable
저장 분류	3 - Flammable liquids

용도

5-Hexen-1-ol is used in cyclization to a tetrahydropyran by phenylselenoetherification. It is also used as a building block in synthetic chemistry. Further, it is used to prepare 6-bromo-hex-1-ene by reaction with phosphorus tribromide.

제조 및 합성 방법

제조 방법

5-hexen-1-ol may be prepared from 2-(chloromethyl)tetrahydropyran according to the literature procedure for the preparation of 4-penten-1-ol (Brooks, L. A.; Snyder, H. R. Org. Synth. Coll. Vol. III 1955, 698).