메틸벤조옥사졸

메틸벤조옥사졸 · 2-메틸벤즈옥사졸 · 2-메틸벤족사졸 · 2-Methylbenzoxazol · Benzoxazole, 2-methyl- · TABAXOL · 2-Methyl-1,3-benzoxazole · 2-METHYL-4,5-BENZOXAZOLE

식별자 및 물리적 특성

CAS No.	95-21-6
분자식	C8H7NO
평균 분자량	133.15 g/mol
단동위원소 질량	133.05276384 g/mol
SMILES	Cc1nc2ccccc2o1
InChIKey	DQSHFKPKFISSNM-UHFFFAOYSA-N
PubChem CID	7225
ChEBI	CHEBI:51603
EC No.	202-399-9
DTXSID	DTXSID50870432
현지명	메틸벤조옥사졸

XLogP	2.2
극성 표면적	26
수소 결합 공여자 수	0
수소 결합 수용자 수	2
회전 가능 결합 수	0
무거운 원자 수	10
형식 전하	0
복잡도	126
물질 분류	Nitrogen Compounds -> Other Aromatics (Nitrogen)
SpringerMaterials Properties	15N nuclear magnetic resonance spectrum
향료	Fragrance Ingredient (2-Methylbenzoxazole) -> IFRA transparency List
식품 첨가물	FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
밀도	1.109-1.1151.121 g/mL at 25 °C(lit.)
향미제	EU Flavoring substances
용해도	Insoluble in waterSoluble (in ethanol)
끓는 점	199 °C178 °C(lit.)
녹는점	9.5 °C5-10 °C(lit.)
굴절률	1.544-1.550n20/D 1.548(lit.)
Physical Description	Dark yellow liquid[Sigma-Aldrich MSDS]Yellowish liquidRoast burnt aroma
FEMA	4398 \| 2-METHYL-4,5-BENZOXAZOLE
인화점	167 °F
저장 조건	Keep in dark place,Sealed in dry,Room Temperature
pKa(산도 계수)	1.58±0.10(Predicted)
물리적 상태	투명한 액체
색상	Colorless to Light yellow to Light orange
비중	1.121
냄새	디프로필렌 글리콜 중 0.10%. 담배에 탄 페놀계 고기 가루 케이퍼
향취 유형	담배
생물학적 소스	synthetic
용해도	물과 섞이지 않습니다.
JECFA Number	1557
BRN	112297
화장품 원료 기능	향수
InChI	1S/C8H7NO/c1-6-9-7-4-2-3-5-8(7)10-6/h2-5H,1H3
InChIKey	BJEBCCKIVRWKGV-UHFFFAOYSA-N
SMILES	Cc1nc2ccccc2o1
LogP(분배 계수)	1.82
NIST	Benzoxazole, 2-methyl-(95-21-6)
EPA	Benzoxazole, 2-methyl- (95-21-6)

clear colourless to yellow liquid

GHS 분류	DangerH226 (66.7%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 135 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
규제 정보	Chemical: Benzoxazole, 2-methyl-2-Methylbenzoxazole: Does not have an individual approval but may be used under an appropriate group standard
기타 안전 정보	IMAP assessments - Benzoxazole, 2-methyl-: Human health tier I assessment
유해성 요약	A severe skin and eye irritantOral LD40 (mouse) = 1,100 mg/kg[RTECS] Safe when used as a flavoring agent in food[JECFA] A skin and strong eye irritantHarmful by ingestion[Sigma-Aldrich MSDS] See 2-Mercaptobenzoxazole.
Hazard Classes and Categories	Flam. Liq. 3 (66.7%)
수질 위해 등급(WGK)	3
TSCA 등재 상태	TSCA listed
RTECS 번호	DM4850000
운송 번호(UN)	UN 1760
관세 코드	29349990
위험 문구(R)	22-36/37/38-41-37/38-34-20/21/22
위험 표시	Xn,Xi,C
안전 문구(S)	26-36/37/39-37/39-45-27
포장분류	III
위험 등급	8Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2STOT SE 3
F 고인화성물질	8

2-Methylbenzoxazole has been used in synthesis of bis-styryl dyes. It is also used in medicine and for the synthesis of other organic compounds.