기본 정보
- CAS
3738-00-9- 표준 SMILES
CC1(C)CCCC2(C)C1CCC1(C)OCCC12- InChIKey
YPZUZOLGGMJZJO-UHFFFAOYSA-N- 분자식
- C16H28O
- 평균 분자량
- 236.39 g/mol
- 단동위원소 질량
- 236.21401551
이름 및 식별자
- 우선 이름
- Cetalox
- IUPAC
- 3a,6,6,9a-tetramethyl-2,4,5,5a,7,8,9,9b-octahydro-1H-benzo[e][1]benzofuran
- 현지명
- 암브록스DL
- 영어명
- AMBROX DL
- 분자식
- C16H28O
- 분자량
- 236.39
이름 및 동의어
Cetalox3738-00-9Naphtho[2,1-b]furan, dodecahydro-3a,6,6,9a-tetramethyl-dodecahydro-3a,6,6,9a-tetramethylnaphtho[2,1-b]furanDTXSID2048119Dodecahydro-3a,6,6,9a-tetramethylnaphtho(2,1-b)furanNaphtho(2,1-b)furan, dodecahydro-3a,6,6,9a-tetramethyl-1,5,5,9-Tetramethyl-13-oxatricyclo (8.3.0.0.(4.9))tridecaneRefChem:417065DTXCID9028091223-118-6Amberlyn
이름 더 보기
암브록스DLAmbermorCETALOX 922560AmbraoxideAMBERLYN 50Iridium etheramber naphthofuranAMBROX DL, FIRMENICH
AmbronideAmbroxane3a,6,6,9a-tetramethyl-2,4,5,5a,7,8,9,9b-octahydro-1H-benzo[e][1]benzofuranAMBROX DL3a,6,6,9a-Tetramethyldodecahydronaphtho[2,1-b]furanAmbrotech3a,6,6,9a-tetramethyl-2,4,5,5a,7,8,9,9b-octahydro-1H-benzo[e]benzofuranTetramethyl-perhydronaphthofuran
데이터베이스 식별자
- CAS
3738-00-9、6790-58-5- PubChem CID
- 107166
- DTXSID
DTXSID2048119- ChEMBL
CHEMBL3728760- ChEBI
CHEBI:171882- EC Number
- 223-118-6
- Nikkaji
- J205.641K
물성
구조 계산 물성
- XLogP
- 4.7
- 극성 표면적
- 9.2 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 17
- 형식 전하
- 0
- 복잡도
- 321
실험 및 물리화학적 성질
Solubility
Insoluble in water
soluble (in ethanol)
Boiling Point120.00 to 121.00 °C. @ 1.40 mm Hg
Melting Point75 - 76 °C
Physical Description
Liquid; CBI
Solid
White crystalline solid
Kovats Retention Index1765.6
물리화학적 성질
- 녹는점
- 75 · 75-76 °C
- 끓는 점
- 273.9 · 273.9±8.0 °C(Predicted)
- 밀도
- 0.939 · 0.939±0.06 g/cm3(Predicted)
- FEMA
- 3471 · 3471 | 1,5,5,9-TETRAMETHYL-13-OXATRICYCLO(8.3.0.0(4,9))TRIDECANE
- 냄새
- 10 % · 디프로필렌 글리콜 중 10.00%. 드라이 우디 앰버 앰버그리스 머스크 스위트
- 냄새 유형
- 호박색
- JECFA Number
- 1240 · 1240
- Henry's Law Constant
- 2 · 2.0×10-2 mol/(m3Pa) at 25℃, Zhang et al. (2010)
- 화장품 원료 기능
안전 및 규제
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for > 99.9% (1558 of 1559) of all reports.
Not Classified；Reported as not meeting GHS hazard criteria by 1558 of 1559 companies (only < 0.1% companies provided GHS information). For more detailed information, please visit ECHA C&L website.
Aggregated GHS information provided per 1559 reports by companies from 3 notifications to the ECHA C&L Inventory.；Reported as not meeting GHS hazard criteria per 1558 of 1559 reports by companies.；There is 1 notification provided by 1 of 1559 reports by companies with hazard statement code(s).；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
유해성 정보
Regulatory Information
Chemical: Naphtho[2,1-b]furan, dodecahydro-3a,6,6,9a-tetramethyl-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Naphtho[2,1-b]furan, dodecahydro-3a,6,6,9a-tetramethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Naphtho[2,1-b]furan, dodecahydro-3a,6,6,9a-tetramethyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Naphtho2,1-bfuran, dodecahydro-3a,6,6,9a-tetramethyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesNot Classified
규제 정보
Regulatory Information
Chemical: Naphtho[2,1-b]furan, dodecahydro-3a,6,6,9a-tetramethyl-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
화학 및 산업
약리 정보
Cellular LocationsExtracellular；Membrane
용도 및 제조
U.S. Production2023: 7,000,000 - <8,500,000 lb；2022: 8,500,000 - <10,000,000 lb；2021: 8,500,000 - <10,000,000 lb；2020: 8,500,000 - <10,000,000 lb
Consumer UsesFragrance
Household ProductsInformation on 45 consumer products that contain Dodecahydro-Tetramethylnaphthofuran in the following categories is provided:；• Auto Products；• Commercial / Institutional；• Inside the Home
Use Classification
Fragrance Ingredients
Flavoring Agents -> JECFA Flavorings Index
General Manufacturing InformationNaphtho[2,1-b]furan, dodecahydro-3a,6,6,9a-tetramethyl-: ACTIVE
응용 분야
출처Reported found in clary sage oil.
용도This ingredient provides warmth, richness and elegance to all areas of perfumery from sheer florals to modern ambers. Due to its power, best effects can be achieved at lower dosages, however, higher levels are often used to provide performance and substantivity.
일반 설명AMBROX DL is an elegant amber-based fragrance note with rich woody characteristics. This substance is typically solid at room temperature and consists of a blend of approximately 30 per cent of the proprietary ingredient Cachalox® and 70 per cent Cetalox (9-epi-Ambrox). Owing to its long-lasting fragrance and high stability, it is frequently used in personal care products. It has also become the fragrance of choice for perfumes with pronounced woody undertones.
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