Oxadixyl

ANCHOR · metoxazon · m10797 · recoil · ripost · san371 · san371f · OXADIXYL

식별자 및 물리적 특성

CAS No.	77732-09-3
분자식	C14H18N2O4
평균 분자량	278.3 g/mol
단동위원소 질량	278.12665706 g/mol
SMILES	COCC(=O)N(c1c(C)cccc1C)N1CCOC1=O
InChIKey	UWVQIROCRJWDKL-UHFFFAOYSA-N
PubChem CID	53735
ChEMBL	CHEMBL1864998
ChEBI	CHEBI:81937
EC No.	616-492-0
DTXSID	DTXSID2032631

XLogP	1.8
극성 표면적	59.1
수소 결합 공여자 수	0
수소 결합 수용자 수	4
회전 가능 결합 수	3
무거운 원자 수	20
형식 전하	0
복잡도	364
농약	FungicidesActive substance -> EU Pesticides database: Not approvedPesticides -> FungicidesPesticide (Oxadixyl) -> USDA PDB
LogP(분배 계수)	0.73
증기압	0.00000002 [mmHg]
Physical Description	Colorless solid[Merck Index] Colorless crystalline solid[Dr. Ehrenstorfer GmbH MSDS]
Collision Cross Section	167.1 Å² [M+Na]+ [CCS Type: DTBuffer gas: N2Ionization: ESI+Dataset: TOXCASTSource Identifier: DTXSID2032631]156.19 Å² [M]+ [CCS Type: TWIonization: GC-APCI+]158.81 Å² [M+H]+
녹는점	104-105 °C
끓는 점	421.12°C (rough estimate)
밀도	1.1674 (rough estimate)
굴절률	1.5500 (estimate)
인화점	>100 °C
저장 조건	0-6°C
pKa(산도 계수)	1.16±0.20(Predicted)
용해도	25&C에서 3.4mg/L
Merck	13,6976
BRN	7098783
헨리 상수	2.0×106 mol/(m3Pa) at 25℃, Ebert et al. (2023)
주요 응용	농업환경
InChI	1S/C14H18N2O4/c1-10-5-4-6-11(2)13(10)16(12(17)9-19-3)15-7-8-20-14(15)18/h4-6H,7-9H2,1-3H3
InChIKey	UWVQIROCRJWDKL-UHFFFAOYSA-N
SMILES	COCC(=O)N(N1CCOC1=O)c2c(C)cccc2C
LogP(분배 계수)	0.800
NIST	Acetamide, n-(2,6-dimethylphenyl)-2-methoxy-n-(2-oxo-3-oxazolidinyl)-(77732-09-3)
EPA	Oxadixyl (77732-09-3)

GHS 분류	WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P270, P273, P301+P317, P330, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 76 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
규제 정보	2002/2076Oxadixyl: 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 - Acetamide, N-(2,6-dimethylphenyl)-2-methoxy-N-(2-oxo-3-oxazolidinyl)-: Environment tier I assessment
유해성 요약	Causes changes in liver weight, other liver changes, and weight loss in 2-year oral study of rats[RTECS] Harmful by ingestion, inhalation, and skin absorptionVapors and/or dust can cause eye injury on repeated exposure[Dr. Ehrenstorfer GmbH MSDS]
Hazard Classes and Categories	Acute Tox. 4 (100%)
수질 위해 등급(WGK)	3
RTECS 번호	AB8131400
독성	LD50 in female rats (mg/kg): 1860 orally>2000 dermally (Gisi)
위험 문구(R)	22
위험 표시	Xn
기존화학 물질	KE-11784
위험 등급	Acute Tox. 4 Oral
저장 분류	11 - Combustible Solids

Oxadixyl is a pesticide residue used for the detection of pesticides in vegetation.