프로피놀에톡실레이트

프로피놀에톡실레이트 · PME · 2-(prop-2-yn-1-yloxy)ethan-1-ol · COB · ethoxyL · 2-(prop-2-ynyloxy)ethanol · Ethanol, 2-(2-propynyloxy)- · 2-(Prop-2-yn-1-yloxy)ethanol

https://huagongshe.com/ko/chemical/77596

식별자 및 물리적 특성

CAS No.	3973-18-0
분자식	C5H8O2
평균 분자량	100.12 g/mol
단동위원소 질량	100.05242949 g/mol
SMILES	C#CCOCCO
InChIKey	GHGCQQRMJCSIBQ-UHFFFAOYSA-N
PubChem CID	77596
EC No.	223-601-1
DTXSID	DTXSID9044665
현지명	프로피놀에톡실레이트

화학 및 물리적 성질

XLogP	-0.5
극성 표면적	29.5
수소 결합 공여자 수	1
수소 결합 수용자 수	2
회전 가능 결합 수	3
무거운 원자 수	7
형식 전하	0
복잡도	69
끓는 점	80-90 °C(Press: 12-14 Torr)
밀도	1.0261
굴절률	1.4502
저장 조건	Sealed in dry,Store in freezer, under -20°C
용해도	클로로포름(적게), 에틸아세테이트(약간)에 용해됨
물리적 상태	기름
pKa(산도 계수)	14.22±0.10(Predicted)
색상	무색~담황색
안정성	감광성
InChI	InChI=1S/C5H8O2/c1-2-4-7-5-3-6/h1,6H,3-5H2
InChIKey	GHGCQQRMJCSIBQ-UHFFFAOYSA-N
SMILES	C(O)COCC#C
EPA	Ethanol, 2-(2-propynyloxy)- (3973-18-0)

화학적 성질

Propynol ethoxylate(PME) is a clear colourless to pale yellow oil.

안전 및 규제

GHS 분류	This chemical does not meet GHS hazard criteria for 6.1% (10 of 163) of reports.DangerH302 (81%): Harmful if swallowed [Warning Acute toxicity, oral]H318 (64.4%): Causes serious eye damage [Danger Serious eye damage/eye irritation]H319 (29.4%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H330 (64.4%): Fatal if inhaled [Danger Acute toxicity, inhalation]H332 (13.5%): Harmful if inhaled [Warning Acute toxicity, inhalation]H335 (65.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]H361f (64.4%): Suspected of damaging fertility [Warning Reproductive toxicity]H373 (64.4%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]P203, P260, P261, P264, P264+P265, P270, P271, P280, P284, P301+P317, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P318, P319, P320, P330, P337+P317, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 163 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Reported as not meeting GHS hazard criteria per 10 of 163 reports by companies.There are 8 notifications provided by 153 of 163 reports by companies with hazard statement code(s).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.
규제 정보	Chemical: Ethanol, 2-(2-propynyloxy)-Ethanol, 2-(2-propynyloxy)-: 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.
Hazard Classes and Categories	Acute Tox. 4 (81%)Eye Dam. 1 (64.4%)Eye Irrit. 2 (29.4%)Acute Tox. 2 (64.4%)Acute Tox. 4 (13.5%)STOT SE 3 (65.6%)

용도

Propynol Ethoxylate is an intermediate and it is shown to be used in the design and synthesis of a tag-free chemical probe for photoafiinity labeling.