기본 정보
- CAS
88-29-9- 표준 SMILES
CCc1cc2c(cc1C(C)=O)C(C)(C)CCC2(C)C- InChIKey
KSEZPRJUTHMFGZ-UHFFFAOYSA-N- 분자식
- C18H26O
- 평균 분자량
- 258.4 g/mol
- 단동위원소 질량
- 258.19836545
개요
musk fragrance in soaps & cosmetics; structure
이름 및 식별자
- 우선 이름
- 7-Acetyl-6-ethyl-1,1,4,4-tetramethyltetralin
- IUPAC
- 1-(3-ethyl-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethanone
- 현지명
- 3'-에틸-5',6',7',8'-테트라하이드로-5',6',8',8',-테트라메틸-2'-아세토나프탈렌(아세틸에틸테트라메틸테트라린, AETT)
- 영어명
- Versalide
- 분자식
- C18H26O
- 분자량
- 258.4
이름 및 동의어
Versalide88-29-9AETTMusk 36AAcetylethyltetramethyltetralin7-Acetyl-6-ethyl-1,1,4,4-tetramethyltetralinBM2DT9GHFQMUSK-36ADTXSID3041582Ethanone, 1-(3-ethyl-5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)-6-Acetyl-1,1,4,4-tetramethyl-7-ethyl-1,2,3,4-tetralinNSC-15342
이름 더 보기
3'-에틸-5',6',7',8'-테트라하이드로-5',6',8',8',-테트라메틸-2'-아세토나프탈렌(아세틸에틸테트라메틸테트라린,AETT)3'-에틸-5',6',7',8'-테트라히드로-5',6',8',8',-테트라메틸-2'-아세토나프탈렌아세틸에틸테트라메틸테트라린7-아세틸-6-에틸-1,2,3,4-테트라히드로-1,1,4,4-테트라메틸나프탈렌VersalideRVersalide (Givaudan-Delawanna)Nsc15342ACETYLATEDTETRAMETHYLTETRALINTETRAMETHYLETHYLACETYLTETRAHYDRONAPHTHALENE7-ACETYL-1,1,4,4-TETRAMETHYL-6-ETHYLTETRAHYDRONAPHTHALENE
2'-ACETONAPHTHONE, 3'-ETHYL-5',6',7',8'-TETRAHYDRO-5',5',8',8'-TETRAMETHYL-1-(3-ethyl-5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)ethanoneacetyl ethyltetramethyltetralinRefChem:194050DTXCID1021582201-817-7acetyl ethyl tetramethyl tetralin1-(3-ethyl-5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
물성
구조 계산 물성
- XLogP
- 5.5
- 극성 표면적
- 17.1 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 19
- 형식 전하
- 0
- 복잡도
- 353
실험 및 물리화학적 성질
FragrancesFragrance substance (Acetyl ethyl tetramethyl tetralin (AETT)) -> IFRA amendment 40
Endocrine DisruptorsPotential endocrine disrupting compound
물리화학적 성질
- 녹는점
- 46.5 ° · 46.5°
- 끓는 점
- 2 · bp2 130°
- 밀도
- 0.9947 · 0.9947 (rough estimate)
- 굴절률
- 1.45 · 1.4500 (estimate)
- 용해도
- 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
- 물리적 상태
- 고체
- 색상
- 흰색에서 황백색까지
- 냄새
- 10 % · 디프로필렌 글리콜 중 10.00%. 스윗 인텐스 머스크 암브레트 마크로시클릭
- 냄새 유형
- 사향
- 수용성
- 12 ug/L · 12ug/L(온도는 명시되지 않음)
- LogP
- 5.037 · 5.037 (est)
- EPA
- Acetylethyltetramethyltetralin (88-29-9)
화학적 성질
Colorless crystals. Mp 45C, bp 130C (2 mm Hg). Insoluble in water; soluble in alcohol.
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P262, P264, P270, P271, P280, P301+P316, P302+P352, P304+P340, P316, P319, P321, P330, P361+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Danger
H301: Toxic if swallowed [Danger Acute toxicity, oral]
유해성 정보
Regulatory Information
Chemical: Ethanone, 1-(3-ethyl-5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)-
Ethanone, 1-(3-ethyl-5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)-: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - Tonalide and related polycyclic musks: Environment tier II assessment
Hazard Classes and Categories
Acute Tox. 3 (100%)
Acute toxicity (ingestion) - category 3
안전 데이터
- tsca
- TSCA listed
- 독성
- Primarily of historic interest, AETT was originally used in fragrance preparations but was withdrawn from commercial use due to a number of behavioral and morphological neurotoxic effects.
화학 및 산업
용도 및 제조
IFRA Fragrance Standards
Acetyl ethyl tetramethyl tetralin (AETT)
7-Acetyl-6-ethyl-1,1,4,4-tetramethyl-1,2,3,4-tetrahydronaphthalene; Ethanone, 1-(3-ethyl-5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)-; Versalide (commercial name)
IFRA_STD_103.pdf
40
IFRA 51st Amendment - Guidance for the use of IFRA Standards
Prohibition: This material should not be used as a fragrance ingredient
General Manufacturing InformationEthanone, 1-(3-ethyl-5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)-: INACTIVE
응용 분야
용도Versalide is used as musk for perfumes, cosmetics, soaps.
제조 방법
Versalide is prepared from Ethylbenzene plus 2,5-Dichloro -2,5-dimethylhexane. (Carpenter, U.S. pat. 2,897,237, 28th July 1959).
공급사4 곳
艾吉析科技（上海）有限公司17717235263 17717235263 · [email protected]
上海泰坦科技股份有限公司13023226327 · [email protected]
上海先臣化工有限公司+86-021-64606569 +86-18049800532 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
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