4,4-다이메틸옥사졸리딘

4,4-다이메틸옥사졸리딘 · 4,4-다이메틸옥사졸리딘(4,4-DIMETHYLOXAZOLIDINE) · 디메칠옥사졸리딘 · Oxaban A · 4,4-Dimethyl-1,3-oxazolidine · SKL161 · Oxadine A · notcleared

https://huagongshe.com/ko/chemical/62010

식별자 및 물리적 특성

CAS No.	51200-87-4
분자식	C5H11NO
평균 분자량	101.15 g/mol
단동위원소 질량	101.08406397 g/mol
SMILES	CC1(C)COCN1
InChIKey	GUQMDNQYMMRJPY-UHFFFAOYSA-N
PubChem CID	62010
ChEMBL	CHEMBL3560963
EC No.	257-048-2
DTXSID	DTXSID0032314
현지명	4,4-다이메틸옥사졸리딘

화학 및 물리적 성질

XLogP	0.1
극성 표면적	21.3
수소 결합 공여자 수	1
수소 결합 수용자 수	2
회전 가능 결합 수	0
무거운 원자 수	7
형식 전하	0
복잡도	70
밀도	Bulk density = 0.99 g/mL0.942 g/mL at 25 °C
Color/Form	Colorless to slightly yellow liquid
용해도	Miscible with water in all proportionsMiscible with methanol, ethanol, propanol and acetone
인화점	49 °C (120 °F) - closed cup
끓는 점	100.9 °C189.55°C (rough estimate)
Decomposition	Hazardous decomposition products: Hazardous decomposition products formed under fire conditions - Carbon oxides, nitrogen oxides (NOx)
증기압	22.3 [mmHg]
Physical Description	CBILiquidColorless to slightly yellow liquid with a fishy odorEnd-use formulations are soluble concentrate and liquid[Reference #1] Pungent odor[Dow MSDS]
Stability/Shelf Life	Stable under recommended storage conditions.
Dissociation Constants	pKa = 9.35
Other Experimental Properties	log Kow = 0.73When heated to decomposition it emits toxic fumes of NOx
굴절률	n20/D 1.432
저장 조건	2-8°C, protect from light
pKa(산도 계수)	8.41±0.40(Predicted)
화장품 원료 기능	항균 방부제
InChI	InChI=1S/C5H11NO/c1-5(2)3-7-4-6-5/h6H,3-4H2,1-2H3
InChIKey	GUQMDNQYMMRJPY-UHFFFAOYSA-N
SMILES	O1CC(C)(C)NC1
LogP(분배 계수)	1.11 at 25℃
EPA	4,4-Dimethyloxazolidine (51200-87-4)

안전 및 규제

GHS 분류	This chemical does not meet GHS hazard criteria for 2% (29 of 1462) of reports.DangerH226 (96%): Flammable liquid and vapor [Warning Flammable liquids]H302+H332 (37.3%): Harmful if swallowed or if inhaled [Warning Acute toxicity, oralacute toxicity, inhalation]H302 (97.9%): Harmful if swallowed [Warning Acute toxicity, oral]H312 (17.6%): Harmful in contact with skin [Warning Acute toxicity, dermal]H315 (92.2%): Causes skin irritation [Warning Skin corrosion/irritation]H318 (97.5%): Causes serious eye damage [Danger Serious eye damage/eye irritation]H332 (91.5%): Harmful if inhaled [Warning Acute toxicity, inhalation]P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P354+P338, P317, P321, P330, P332+P317, P362+P364, P370+P378, P403+P235, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 1462 reports by companies from 22 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Reported as not meeting GHS hazard criteria per 29 of 1462 reports by companies.There are 21 notifications provided by 1433 of 1462 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: Oxazolidine, 4,4-dimethyl-Oxazolidine, 4,4-dimethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Oxazolidine, 4,4-dimethyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)Status: Active Update: 04-01-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/274844,4-Dimethyloxazolidine: 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.
기타 안전 정보	IMAP assessments - Oxazolidine, 4,4-dimethyl-: Human health tier II assessment

용도

4,4-Dimethyl-oxazolidine is a preservative for latex paints and emulsions and for cooling fluids (component in Bioban CS 1135).