기본 정보
- CAS
79185-77-6- 표준 SMILES
CCC12CO[C@@H](C(C)C)N1[C@H](C(C)C)OC2- InChIKey
ZFNYRUONSKXJOW-RYUDHWBXSA-N- 분자식
- C13H25NO2
- 평균 분자량
- 227.34 g/mol
- 단동위원소 질량
- 227.18852904
이름 및 식별자
- 우선 이름
- 1H,3H,5H-Oxazolo(3,4-c)oxazole, 7a-ethyldihydro-3,5-bis(1-methylethyl)-
- IUPAC
- (3S,5S)-7a-ethyl-3,5-di(propan-2-yl)-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole
- 영어명
- 5-Ethyl-2,8-diisopropyl-1-aza-3,7-dioxabicyclo[3.3.0]octane
- 분자식
- C13H25NO2
- 분자량
- 227.34
이름 및 동의어
7a-ethyl-3,5-bis(1-methylethyl)-2,3,4,5-tetrahydrooxazolo(3,4-c)-2,3,4,5-tetrahydrooxazoleEC 417-140-71H,3H,5H-Oxazolo(3,4-c)oxazole, 7a-ethyldihydro-3,5-bis(1-methylethyl)-1H,3H,5H-Oxazolo[3,4-c]oxazole, 7a-ethyldihydro-3,5-bis(1-methylethyl)-7a-ethyl-3,5-bis(1-methylethyl)-2,3,4,5-tetrahydrooxazolo[3,4-c]-2,3,4,5-tetrahydrooxazoleRefChem:4377401H,3H,5H-Oxazolo3,4-coxazole, 7a-ethyldihydro-3,5-bis(1-methylethyl)-417-140-7686-599-579185-77-6(3S,5S)-7a-ethyl-3,5-di(propan-2-yl)-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole5-ETHYL-2 8-DIISOPROPYL-1-AZA-3 7-DIOXA&
이름 더 보기
5-ethyl-2,8-diisopropyl-1-aza-3,7-dioxa-bicyclo(31-aza-3,7-dioxobicyclo-2,8-diisopropyl-5-ethyl(3.3.0)octan5-Ethyl-2,8-diisopropyl-1-aza-3,7-dioxabicyclo[3.3.0]octane3h,5h-oxazolo[3,4-c]oxazole,7a-ethyldihydro-3,5-bis(1-methylethyl)-13H,5H-Oxazolo[3,4-c]oxazole,7a-ethyldihydro-3,5-bis(1-methylethyl)-1H7A-ethyldihydro-3,5-bis(1-Methylethyl)-1H,3H,5H-oxazolo[3,4-c]oxazole
물성
구조 계산 물성
- XLogP
- 3.3
- 극성 표면적
- 21.7 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 16
- 형식 전하
- 0
- 복잡도
- 232
물리화학적 성질
- 끓는 점
- 127 °C15 · 127 °C15 mm Hg(lit.)
- 밀도
- 0.955 g/mL · 0.955 g/mL at 25 °C(lit.)
- 굴절률
- 20 · n20/D 1.455(lit.)
- 인화점
- 220 °F · 220 °F
- 용해도
- 폴리올 및 유기 용매: 가용성
- 산도 계수 (pKa)
- 5.1 · 5.10±0.70(Predicted)
- EPA
- 1 H,3H,5H-Oxazolo[3,4-c]oxazole, · 1H,3H,5H-Oxazolo[3,4-c]oxazole, 7a-ethyldihydro-3,5-bis(1-methylethyl)- (79185-77-6)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H315: Causes skin irritation [Warning Skin corrosion/irritation]
P264, P273, P280, P302+P352, P321, P332+P317, P362+P364, P391, and P501 (click each P-code to see the statement)
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P273, P280, P302+P352, P321, P332+P317, P362+P364, P391, and P501 (click each P-code to see the statement)
유해성 정보
Regulatory Information
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
REACH registered substance: 7a-ethyl-3,5-bis(1-methylethyl)-2,3,4,5-tetrahydrooxazolo[3,4-c]-2,3,4,5-tetrahydrooxazole (EC: 417-140-7)
1H,3H,5H-Oxazolo3,4-coxazole, 7a-ethyldihydro-3,5-bis(1-methylethyl)-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and Categories
Skin Irrit. 2 (100%)
Skin Irrit. 2 (100%)
Skin irritation - category 2
Skin Irrit. 2
안전 데이터
- wgk
- 2
- tsca
- TSCA listed
- ridadr
- UN 3082 9/PG 3
- risk_code
- 38-51/53
- hazard_code
- Xi,N
- safety_code
- 37-61
화학 및 산업
용도 및 제조
General Manufacturing Information1H,3H,5H-Oxazolo[3,4-c]oxazole, 7a-ethyldihydro-3,5-bis(1-methylethyl)-: ACTIVE
공급사3 곳
天津希恩思生化科技有限公司400 638 7771 · [email protected]
上海贺康生物技术有限公司17721021104 18939837085 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
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