기본 정보
- CAS
68815-62-3- 표준 SMILES
CC(=O)/C=C/C=C(\C)CCC=C(C)C- InChIKey
JXJIQCXXJGRKRJ-KOOBJXAQSA-N- 분자식
- C13H20O
- 평균 분자량
- 192.3 g/mol
개요
Pseudoionone is a terpene ketone derived from ring cleavage of the apo carotenoid beta-ionone. It has a role as a fragrance. It is functionally related to a beta-ionone.
이름 및 식별자
- 우선 이름
- Pseudoionone
- IUPAC
- (3E,5E)-6,10-dimethylundeca-3,5,9-trien-2-one
- 현지명
- 3,5,9-운데카트리엔-2-온,6,10-디메틸-,고리화,부산물,분별잔류물
- 영어명
- 3,5,9-Undecatrien-2-one, 6,10-dimethyl-, cyclized, by-products from, fractionation residues
- 분자식
- C13H20O
- 분자량
- 192.2973
이름 및 동의어
Pseudoionone141-10-6Citrylideneacetone6,10-Dimethyl-3,5,9-undecatrien-2-onePseudoiononespsi-Ionone3,5,9-Undecatrien-2-one, 6,10-dimethyl-6,10-Dimethylundeca-3,5,9-trien-2-one2,6-Dimethylundeca-2,6,8-triene-10-one.psi.-Ionone6,10-Dimethyl-3,5,9-undecatriene-2-onepseudo-ionone
이름 더 보기
3,5,9-운데카트리엔-2-온,6,10-디메틸-,고리화,부산물,분별잔류물3,5,9-Undecatrien-2-one, 6,10-dimethyl-, cyclized, by-products from, fractionation residues
EINECS 205-457-1AI3-22131H1KUL01Y8OCHEBI:67207EC 205-457-1DTXSID7029168PHI-IONONE2-PSEUDOIONONE
데이터베이스 식별자
- CAS
68815-62-3- ChEMBL
CHEMBL4469540- ChEBI
CHEBI:67207- UNII
- Z6K5D761AV
- EC Number
- 205-457-1
- Nikkaji
물성
구조 계산 물성
- XLogP
- 3.9
- 극성 표면적
- 17.1 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 14
- 형식 전하
- 0
- 복잡도
- 263
실험 및 물리화학적 성질
FragrancesFragrance substance (Pseudoionone) -> IFRA amendment 40
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.894-0.903
Flavoring AgentsEU Flavoring substances
Solubility
Practically insoluble to insoluble
Soluble (in ethanol)
Boiling Point143-145 º
Melting Point< 25 °C
Refractive Index1.529-1.535
Physical Description
Solid
Pale yellow liquid; Warm floral aroma
물리화학적 성질
- EPA
- 3 · 3,5,9-Undecatrien-2-one, 6,10-dimethyl-, cyclized, by-products from, fractionation residues (68815-62-3)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
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 384 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Warning
H315: Causes skin irritation [Warning Skin corrosion/irritation]
유해성 정보
Regulatory Information
Chemical: 3,5,9-Undecatrien-2-one, 6,10-dimethyl-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Status: Active Update: 04-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/11108
3,5,9-Undecatrien-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 Irrit. 2 (100%)
Skin corrosion/irritation - Category 2
안전 데이터
- tsca
- TSCA listed
화학 및 산업
약리 정보
Cellular LocationsExtracellular
용도 및 제조
IFRA Fragrance Standards
Pseudoionone
Citrylideneacetone; 2,6-Dimethylundeca-2,6,8-trien-10-one; 6,10-Dimethyl-3,5,9-undecatrien-2-one; 3,5,9-Undecatrien-2-one, 6,10-dimethyl-
IFRA_STD_176.pdf
40
IFRA 51st Amendment - Guidance for the use of IFRA Standards
Prohibition: This material should not be used as a fragrance ingredient_Specification: This material should be used only if it meets the criteria stated in the Standard
Use Classification
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing Information3,5,9-Undecatrien-2-one, 6,10-dimethyl-: ACTIVE
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