기본 정보
- CAS
145-39-1- 표준 SMILES
Cc1c(C)c([N+](=O)[O-])c(C(C)(C)C)c([N+](=O)[O-])c1C- InChIKey
MINYPECWDZURGR-UHFFFAOYSA-N- 분자식
- C13H18N2O4
- 평균 분자량
- 266.29 g/mol
- 단동위원소 질량
- 266.12665706
개요
in contrast to other musk cpds this cpd does not cause allergic photocontact dermatitis; structure given in first source
이름 및 식별자
- 우선 이름
- Musk tibetene
- IUPAC
- 1-tert-butyl-3,4,5-trimethyl-2,6-dinitrobenzene
- 현지명
- 5-tert-부틸-1,2,3-트라이메틸-4.6-다이니트로벤젠
- 영어명
- MUSK TIBETEN
- 분자식
- C13H18N2O4
- 분자량
- 266.29
이름 및 동의어
Musk tibetene145-39-1Musk tibetineTibetene musk1-tert-Butyl-3,4,5-trimethyl-2,6-dinitrobenzeneBenzene, 1-(1,1-dimethylethyl)-3,4,5-trimethyl-2,6-dinitro-5-tert-Butyl-1,2,3-trimethyl-4,6-dinitrobenzeneDTXSID9044582Benzene, 1-tert-butyl-3,4,5-trimethyl-2,6-dinitro-CMN65165X52,6-Dinitro-3,4,5-trimethyl-tert-butylbenzeneDTXCID7024582
이름 더 보기
5-tert-부틸-1,2,3-트라이메틸-4.6-다이니트로벤젠5-tert-부틸-1,2,3-트라이메틸-4.6-다이니트로벤젠(머스크티베텐)머스크티베텐TIBETENmusktibetineMUSK TIBETENMUSK TIBETEN USP/EP/BPmusk tibetene (Givaudan)
RefChem:819663205-651-65-t-Butyl-4,6-dinitro-1,2,3-trimethylbenzene1-(tert-butyl)-3,4,5-trimethyl-2,6-dinitrobenzene1-tert-Butyl-2,6-dinitro-3,4,5-trimethylbenzene5-tert-Butyl-4,6-dinitro-1,2,3-trimethylbenzeneNSC 78470Benzene, 1-tert-butyl-2,6-dinitro-3,4,5-trimethyl-
데이터베이스 식별자
물성
구조 계산 물성
- XLogP
- 4.3
- 극성 표면적
- 91.6 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 19
- 형식 전하
- 0
- 복잡도
- 338
실험 및 물리화학적 성질
FragrancesFragrance substance (Musk tibetene) -> IFRA amendment 43
물리화학적 성질
- 끓는 점
- 409.5 °C · 409.5°C (rough estimate)
- 밀도
- 1.1738 · 1.1738 (rough estimate)
- 굴절률
- 1.645 · 1.6450 (estimate)
- 냄새
- 10 % · 벤질 벤조에이트 중 10.00%. 머스크 케톤 달콤한 가루 지방
- 냄새 유형
- 사향
- Henry's Law Constant
- 3.4 · 3.4×101 mol/(m3Pa) at 25℃, Zhang et al. (2010)
- LogP
- 4.931 · 4.931 (est)
- EPA
- 1 · Benzene, 1-(1,1-dimethylethyl)-3,4,5-trimethyl-2,6-dinitro- (145-39-1)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (90 of 90) of all reports.
Not Classified
Aggregated GHS information provided per 90 reports by companies from 1 notifications to the ECHA C&L Inventory.
유해성 정보
Regulatory Information
Chemical: Benzene, 1-(1,1-dimethylethyl)-3,4,5-trimethyl-2,6-dinitro-
Hazard Traits - Bioaccumulation; Environmental Persistence
Benzene, 1-(1,1-dimethylethyl)-3,4,5-trimethyl-2,6-dinitro-: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationEvaluation - Musk tibetene and a structural analogue
Hazard Classes and CategoriesNot Classified
안전 데이터
- tsca
- TSCA listed
- 독성
- The acute oral LD50 in rats was reported as > 6 g/kg and the acute dermal LD50 in rabbits as > 5 g/kg (Weir, 1971)
- HS 번호
- 2904200090
화학 및 산업
용도 및 제조
IFRA Fragrance Standards
Musk tibetene
1-tert-Butyl-2,6-dinitro-3,4,5-trimethylbenzene; Benzene, 1-(1,1-dimethylethyl)-3,4,5-trimethyl-2,6-dinitro-
IFRA_STD_169.pdf
43
IFRA 51st Amendment - Guidance for the use of IFRA Standards
Prohibition: This material should not be used as a fragrance ingredient
General Manufacturing InformationBenzene, 1-(1,1-dimethylethyl)-3,4,5-trimethyl-2,6-dinitro-: ACTIVE
응용 분야
출처Has apparently not been reported to occur in nature.
용도Musk tibetine is used as fragrance and fixative in after-shave lotions, perfumes, ete.
제조 방법
By nitration of the corresponding benzene derivative (Bedoukian, 1967).
공급사25 곳
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
上海辅欣医药科技有限公司+86-021-021-50872116 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
常州市华阳科技有限公司+8615250961469 · [email protected]
常州鹏森福新材料科技有限公司18961278960 · [email protected]
常州言己生物科技有限公司0519-83556355 18015005120 · [email protected]
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