기본 정보
- CAS
1322-58-3- 표준 SMILES
CC(=O)CCCC(C)CCC=C(C)C- InChIKey
LGVYUZVANMHKHV-UHFFFAOYSA-N- 분자식
- C13H24O
- 평균 분자량
- 196.33 g/mol
- 단동위원소 질량
- 196.18271539
이름 및 식별자
- 우선 이름
- Tetrahydro-pseudo-ionone
- IUPAC
- 6,10-dimethylundec-9-en-2-one
- 영어명
- 3,4,5,6-Tetrahydropseudoionone
- 분자식
- C13H24O
- 분자량
- 196.33
이름 및 동의어
6,10-Dimethylundec-9-en-2-oneCitronellylacetone3,4,5,6-TetrahydropseudoiononeTetrahydro-pseudo-ionone6,10-Dimethyl-9-undecen-2-one9-Undecen-2-one, 6,10-dimethyl-4433-36-7FEMA No. 3059BRN 1765213EINECS 224-634-46,10-Dimethylundecen-2-oneTETRAMERAN
이름 더 보기
FEMA 30596,10-dimethyl-9-undecen-2-on6,10-Dimethylundec-9-en-2-on3,4,5,6-TETRAHYDROPSEDOIONONE
3DAE8640XJDTXSID701100094-01-00-03529 (Beilstein Handbook Reference)TETRAHYDRO-PSEUDO-IONONE [FHFI]RefChem:897159DTXCID1065263DTXSID50280077(+-)-TETRAHYDRO-PSEUDO-IONONE
데이터베이스 식별자
- CAS
1322-58-3、4433-36-7- PubChem CID
- 102604
- DTXSID
DTXSID70110009- ChEBI
CHEBI:185517- UNII
- 3DAE8640XJ
- EC Number
- 215-340-7、224-634-4
- Nikkaji
- J40.458F
물성
구조 계산 물성
- XLogP
- 4.1
- 극성 표면적
- 17.1 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 14
- 형식 전하
- 0
- 복잡도
- 187
실험 및 물리화학적 성질
Density0.865-0.875
Solubility
insoluble in water; soluble in oils
Miscible at room temperature (in ethanol)
Boiling Point
234.00 °C. @ 760.00 mm Hg
234 °C
Refractive Index1.449-1.455
Physical DescriptionPale straw yellow or colourless oily liquid; sweet floral balsamic odour with a rose to woody quality
Kovats Retention Index1329；1424
물리화학적 성질
- 끓는 점
- 130 · 130-132 °C(Press: 11 Torr)
- 밀도
- 0.838 · 0.838±0.06 g/cm3(Predicted)
- 증기압
- 0.6 Pa · 0.6Pa at 20℃
- FEMA
- 3059 · 3059 | 3,4,5,6-TETRAHYDROPSEUDOIONONE
- 용해도
- Practically insoluble in water, soluble in alcohol and oils.
- 물리적 상태
- oily liquid
- Specific Gravity
- 0.87 · 0.87
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 0.4% (1 of 250) of reports.
Warning
H317 (99.2%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 250 reports by companies from 4 notifications to the ECHA C&L Inventory.；Reported as not meeting GHS hazard criteria per 1 of 250 reports by companies.；There are 3 notifications provided by 249 of 250 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: 9-Undecen-2-one, 6,10-dimethyl-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Status: Active Update: 02-02-2016 https://echa.europa.eu/registration-dossier/-/registered-dossier/16901
9-Undecen-2-one, 6,10-dimethyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and Categories
Skin Sens. 1B (100%)
Skin Sens. 1B (99.2%)
규제 정보
Regulatory Information
Chemical: 9-Undecen-2-one, 6,10-dimethyl-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Status: Active Update: 02-02-2016 https://echa.europa.eu/registration-dossier/-/registered-dossier/16901
화학 및 산업
약리 정보
Cellular LocationsExtracellular；Membrane
용도 및 제조
Use Classification
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
응용 분야
용도6,10-Dimethylundec-9-en-2-one finds some use in Rose compositions, where its peculiar oily softness lends very pleasant and natural notes, and also supPorts mildly green notes in the composition. It blends furthermore excellently with Vetiver and Labdanum, musks and Lavender products, and it can justly be classified as a very versatile perfume chemical. It is used in small amounts in berry flavors, fruit complexes, etc. at the rate of 1 to 15 ppm in the functional consumer products.
제조 방법
By hydrogenation of pseudo-ionone with colloidal palladium; this reaction leads to a product with considerable mixture; also from linalool plus acetic anhydride and sodium ethoxide, followed by hydrogenation; another method starts with geraniol via the acid chloride.
공급사6 곳
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