1-Diethoxyphosphorylpropan-2-one

Diethyl Acetonylphosphonate · DIETHYL(2-OXOPROPYL)PHOSPHONATE · AURORA KA-1476 · DIETHYL ACETYLPHOSPHONATE · Diethyl (2-oxopropyl)phosphote · Diethyl acetylmethylphosphonate · 1-Diethoxyphosphinyl-2-propanone · Diethyle(2-oxopropyl)phosphonate

https://huagongshe.com/ko/chemical/14028

식별자 및 물리적 특성

CAS No.	1067-71-6
분자식	C7H15O4P
평균 분자량	194.17 g/mol
단동위원소 질량	194.07079595 g/mol
SMILES	CCOP(=O)(CC(C)=O)OCC
InChIKey	RSAFKRSMGOSHRK-UHFFFAOYSA-N
PubChem CID	14028
EC No.	682-094-9
DTXSID	DTXSID90147731

화학 및 물리적 성질

XLogP	0
극성 표면적	52.6
수소 결합 공여자 수	0
수소 결합 수용자 수	4
회전 가능 결합 수	6
무거운 원자 수	12
형식 전하	0
복잡도	180
끓는 점	126 °C9 mm Hg(lit.)
밀도	1.01 g/mL at 25 °C(lit.)
굴절률	n20/D 1.433(lit.)
인화점	>230 °F
저장 조건	Inert atmosphere,Room Temperature
용해도	테트라히드로푸란, 에테르, 디클로로메탄 및 클로로포름과 혼합 가능.
물리적 상태	액체
색상	무색투명~연황색
InChI	InChI=1S/C7H15O4P/c1-4-10-12(9,11-5-2)6-7(3)8/h4-6H2,1-3H3
InChIKey	RSAFKRSMGOSHRK-UHFFFAOYSA-N
SMILES	P(CC(=O)C)(=O)(OCC)OCC

화학적 성질

CLEAR COLORLESS TO LIGHT YELLOW LIQUID

안전 및 규제

GHS 분류	This chemical does not meet GHS hazard criteria for 33.3% (1 of 3) of reports.DangerH302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]H315 (66.7%): Causes skin irritation [Warning Skin corrosion/irritation]H318 (33.3%): Causes serious eye damage [Danger Serious eye damage/eye irritation]H319 (33.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H332 (33.3%): Harmful if inhaled [Warning Acute toxicity, inhalation]H335 (33.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]H411 (33.3%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Reported as not meeting GHS hazard criteria per 1 of 3 reports by companies.There are 2 notifications provided by 2 of 3 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.
Hazard Classes and Categories	Acute Tox. 4 (33.3%)Skin Irrit. 2 (66.7%)Eye Dam. 1 (33.3%)Eye Irrit. 2A (33.3%)STOT SE 3 (33.3%)Aquatic Chronic 2 (33.3%)
수질 위해 등급(WGK)	3
관세 코드	29319090
안전 문구(S)	24/25
저장 분류	10 - Combustible liquids

용도

Diethyl (2-Oxopropyl)phosphonate, is used in the preparation of enantipure acetoxyalkanephosphonates thru dynamic enzymic kinetic resolution alpha- and beta-hydroxalkanephosphonates.