기본 정보
- CAS
33704-61-9- 표준 SMILES
CC1C(C)(C)C2=C(C(=O)CCC2)C1(C)C- InChIKey
MIZGSAALSYARKU-UHFFFAOYSA-N- 분자식
- C14H22O
- 평균 분자량
- 206.32 g/mol
- 단동위원소 질량
- 206.16706532
이름 및 식별자
- 우선 이름
- (+-)-Cashmeran
- IUPAC
- 1,1,2,3,3-pentamethyl-2,5,6,7-tetrahydroinden-4-one
- 현지명
- 1,2,3,5,6,7-헥사하이드로-1,1,2,3,3-페나메틸-4H0인덴-4-온
- 영어명
- CASHMERAN
- 분자식
- C14H22O
- 분자량
- 206.32
이름 및 동의어
Cashmeran33704-61-91,2,3,5,6,7-Hexahydro-1,1,2,3,3-pentamethyl-4H-inden-4-oneMusk indanone4H-Inden-4-one, 1,2,3,5,6,7-hexahydro-1,1,2,3,3-pentamethyl-DTXSID8047399(+-)-Cashmerandihydro pentamethylindanoneEINECS 251-649-3CCRIS 8406dihydropentamethylindanoneDTXCID6027399
이름 더 보기
1,2,3,5,6,7-헥사하이드로-1,1,2,3,3-페나메틸-4H0인덴-4-온다이하이드로펜타메틸인다논DPMICashmere6,7-DIHYDRO-1,1,2,3,3-PENTAMETHYL-4(5H)-INDANONE1,2,3,5,6,7-hexahydro-1,1,2,3,3-pentamethyl-4h-inden-4-on1,1,2,3,3-Pentamethyl-1,2,3,5,6,7-hexahydro-4H-inden-4-one
EC 251-649-3Dihydro-1,1,2,3,3-pentamethyl-4(5H)-indanone4(5H)-INDANONE, 6,7-DIHYDRO-1,1,2,3,3-PENTAMETHYL-RefChem:390703DIHYDRO PENTAMETHYLINDANONE [INCI]Casmierone1,1,2,3,3-Pentamethyl-2,3,6,7-tetrahydro-1H-inden-4(5H)-one1,1,2,3,3-pentamethyl-2,5,6,7-tetrahydroinden-4-one
데이터베이스 식별자
- CAS
33704-61-9- PubChem CID
- 92292
- DTXSID
DTXSID8047399- ChEMBL
CHEMBL3183584- UNII
- BZR4438MY4
- EC Number
- 251-649-3
- Nikkaji
- J308.527I
물성
구조 계산 물성
- XLogP
- 3.3
- 극성 표면적
- 17.1 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 15
- 형식 전하
- 0
- 복잡도
- 344
실험 및 물리화학적 성질
Physical DescriptionLiquid; CBI
Kovats Retention Index1503.2；1512.7
Collision Cross Section
154.6 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID8047399]
148.04 Ų [M+H]+ [CCS Type: TW; Buffer gas: N2; Ionization: GC-APCI+]
물리화학적 성질
- 끓는 점
- 286.1 °C · 286.1 °C
- 밀도
- 0.96 · 0.96±0.1 g/cm3(Predicted)
- 증기압
- 1 Pa · 1Pa at 25℃
- 용해도
- 클로로포름(약간 용해됨), 메탄올
- 물리적 상태
- 저융점 고체
- 색상
- 흰색에서 황백색까지
- 냄새
- 10 % · 디프로필렌 글리콜 중 10.00%. 리치 스파이시 머스크 우디 클린
- 냄새 유형
- 사향
- 수용성
- 49.1 mg/L · 49.1mg/L at 20℃
- Henry's Law Constant
- 7 · 7.0×10-2 mol/(m3Pa) at 25℃, Zhang et al. (2010)
- 화장품 원료 기능
- 향기향수
- InChI
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 0.3% (4 of 1553) of reports.
Warning
H315 (92.1%): Causes skin irritation [Warning Skin corrosion/irritation]；H317 (92.1%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H319 (92.1%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H411 (99.6%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P261, P264, P264+P265, P272, P273, P280, P302+P352, P305+P351+P338, P321, P332+P317, P333+P317, P337+P317, P362+P364, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1553 reports by companies from 19 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 4 of 1553 reports by companies.；There are 18 notifications provided by 1549 of 1553 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: 4H-Inden-4-one, 1,2,3,5,6,7-hexahydro-1,1,2,3,3-pentamethyl-
4H-Inden-4-one, 1,2,3,5,6,7-hexahydro-1,1,2,3,3-pentamethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 4H-Inden-4-one, 1,2,3,5,6,7-hexahydro-1,1,2,3,3-pentamethyl- 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)
Status: Active Update: 20-12-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/15957
4H-Inden-4-one, 1,2,3,5,6,7-hexahydro-1,1,2,3,3-pentamethyl-: Does not have an individual approval but may be used under an appropriate group standard
화학 및 산업
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
Industry UsesFragrance
IFRA Fragrance Standards
6,7-Dihydro-1,1,2,3,3-pentamethyl-4(5H)-indanone (DPMI)
1,2,3,5,6,7-Hexahydro-1,1,2,3,3-pentamethyl-4H-inden-4-one; 4H-Inden-4-one, 1,2,3,5,6,7-hexahydro-1,1,2,3,3-pentamethyl-; 1,1,2,3,3-Pentamethyl-1,2,3,5,6,7-hexahydro-4H-inden-4-one; Cashmeran (commercial name)
IFRA_STD_028.pdf
49
IFRA 51st Amendment - Guidance for the use of IFRA Standards
Restriction: This material should be used only in the limited quantity as stated in the Standard
Household ProductsInformation on 30 consumer products that contain Dihydro Pentamethylindanone in the following categories is provided:；• Auto Products；• Inside the Home；• Personal Care
Use ClassificationFragrance Ingredients
General Manufacturing Information
Soap, Cleaning Compound, and Toilet Preparation Manufacturing；Plastics Material and Resin Manufacturing；All Other Chemical Product and Preparation Manufacturing
4H-Inden-4-one, 1,2,3,5,6,7-hexahydro-1,1,2,3,3-pentamethyl-: ACTIVE
Restriction Limits in the Finished Product (%)
0.0063 [Products applied to the lips]
0.26 [Products applied to the axillae]
0.019 [Products applied to the face/body using fingertips]
3.8 [Products related to fine fragrances]
0.31 [Products applied to the body using the hands (palms), primarily leave-on (Body lotion)]
0.025 [Products applied to the face using the hands (palms), primarily leave-on (Face moisturizer)]
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