기본 정보
- CAS
23787-90-8- 표준 SMILES
CC1(C)C2CCC3(C2)C1C(=O)CCC3(C)C- InChIKey
VCOCESNMLNDPLX-UHFFFAOYSA-N- 분자식
- C15H24O
- 평균 분자량
- 220.35 g/mol
- 단동위원소 질량
- 220.18271539
개요
Isolongifolanone has been reported in Artemisia annua with data available.
이름 및 식별자
- 우선 이름
- 1,3,4,6,7,8a-Hexahydro-1,1,5,5-tetramethyl-2H-2,4a-methanonaphthalen-8(5H)-one
- IUPAC
- 2,2,8,8-tetramethyl-octahydro-1H-2,4a-methanonapthalen-10-one
- 영어명
- Isolongifolone
- 분자식
- C15H24O
- 분자량
- 220.35
이름 및 동의어
23787-90-82H-2,4a-Methanonaphthalen-8(5H)-one, 1,3,4,6,7,8a-hexahydro-1,1,5,5-tetramethyl-1,3,4,6,7,8a-Hexahydro-1,1,5,5-tetramethyl-2H-2,4a-methanonaphthalen-8(5H)-oneRefChem:412366Isolongifolone1,1,5,5-Tetramethylhexahydro-1H-2,4a-methanonaphthalen-8(2H)-one1,1,5,5-Tetramethylhexahydro-2H-2,4a-methanonaphthalen-8(5H)-oneIsolongifolanone- parent2,2,7,7-tetramethyltricyclo[6.2.1.01,6]undecan-5-one29461-14-1SCHEMBL273852AKOS025405131
이름 더 보기
PICONIAPICOMATEVALANONEBIsophyllanonelsolongifoloneISOLONGIFOLANONISOLONGIFOLANONEcis-Isolongifolanone
AS-76432FI175569NS000125562,2,7,7-tetramethyltricyclo[6.2.1.0,undecan-5-one2,2,7,7-tetramethyltricyclo[6.2.1.0(1),]undecan-5-one1,1,5,5-tetramethyl-hexahydro-2,4-a-methano-naphthalen-8-one1,1,5,5-tetramethyl-hexahydro-2,4a-methano-naphthalene-8-one1,1,5,5-tetramethylhexahydro-2h-2,4a-methano-naphthalene-8-one
물성
구조 계산 물성
- XLogP
- 4
- 극성 표면적
- 17.1 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 16
- 형식 전하
- 0
- 복잡도
- 352
실험 및 물리화학적 성질
CosmeticsMasking
Fragrances
Fragrance Ingredient ((2.alpha.,4a.alpha.,8.alpha.)-Hexahydro-1,1,5,5-tetramethyl-2H-2,4a-methanonaphthalen-8(5H)-one) -> IFRA transparency List
Fragrance Ingredient (Isolongifolene ketone) -> IFRA transparency List
물리화학적 성질
- 끓는 점
- 286.8 · 286.8±8.0 °C(Predicted)
- 밀도
- 1 · 1.00±0.1 g/cm3(Predicted)
- 증기압
- 0.5 Pa · 0.5Pa at 20℃
- 저장 조건
- Store at room temperature
- 냄새
- 100 %에서 · 100.00%에서. 마른 나무가 우거진 파출리 삼나무 흙향 담배 향
- 냄새 유형
- 우디
- 수용성
- 25.3 mg/L · 25.3mg/L at 20℃
- 화장품 원료 기능
- 향수
- InChI
- InChI=1S/C15H24O/c1-13(2)7-6-11(16)12-14(3,4)10-5-8-15(12,13)9-10/h10,12H,5-9H2,1-4H3
- InChIKey
- VCOCESNMLNDPLX-UHFFFAOYSA-N
- SMILES
- C1(C)(C)C2C3(CC1CC3)C(C)(C)CCC2=O
- LogP
- 4.9 at · 4.9 at 35℃
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 16.3% (272 of 1666) of reports.
Warning
H315 (83.4%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P272, P273, P280, P302+P352, P321, P332+P317, P333+P317, P362+P364, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1666 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Warning
유해성 정보
Regulatory Information
Chemical: 2H-2,4a-Methanonaphthalen-8(5H)-one, 1,3,4,6,7,8a-hexahydro-1,1,5,5-tetramethyl-
Chemical: 2H-2,4a-Methanonaphthalen-8(5H)-one, hexahydro-1,1,5,5-tetramethyl-, (2.alpha.,4a.alpha.,8.alpha.)-
2H-2,4a-Methanonaphthalen-8(5H)-one, 1,3,4,6,7,8a-hexahydro-1,1,5,5-tetramethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2H-2,4a-Methanonaphthalen-8(5H)-one, 1,3,4,6,7,8a-hexahydro-1,1,5,5-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)
REACH registered substance: 1,3,4,6,7,8a-hexahydro-1,1,5,5-tetramethyl-2H-2,4a-methanonaphthalen-8(5H)-one (EC: 245-890-3)
REACH registered substance: (2α,4aα,8α)-hexahydro-1,1,5,5-tetramethyl-2H-2,4a-methanonaphthalen-8(5H)-one (EC: 249-649-3)
2H-2,4a-Methanonaphthalen-8(5H)-one, 1,3,4,6,7,8a-hexahydro-1,1,5,5-tetramethyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and Categories
Skin Irrit. 2 (83.4%)
Skin Irrit. 2 (100%)
안전 데이터
- tsca
- TSCA listed
- 기존화학 물질
- KE-18595
화학 및 산업
용도 및 제조
U.S. Production2023: <50,000 lb
Household ProductsInformation on 19 consumer products that contain Isolongifolanone in the following categories is provided:
Use Classification
Fragrance Ingredients
Fragrance Ingredients
Cosmetics -> Masking
General Manufacturing Information2H-2,4a-Methanonaphthalen-8(5H)-one, 1,3,4,6,7,8a-hexahydro-1,1,5,5-tetramethyl-: ACTIVE
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