기본 정보
- CAS
31798-12-6- 표준 SMILES
CC(=O)C=CC1C(C)=CCCC1(C)C- InChIKey
UZFLPKAIBPNNCA-UHFFFAOYSA-N- 분자식
- C13H20O
- 평균 분자량
- 192.3 g/mol
- 단동위원소 질량
- 192.15141526
개요
See also: Alpha-Ionone (annotation moved to).
이름 및 식별자
- 우선 이름
- Ionone
- IUPAC
- 4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-one
이름 및 동의어
DTXSID7044477IrisoneQP734LIN1KRefChem:1087416CHEBI:49248DTXCID30809689232-396-8939-953-08013-90-9Ionone.alpha.-Ionone31798-12-6
이름 더 보기
SCHEMBL112671UZFLPKAIBPNNCA-UHFFFAOYSA-N(E)-(+-)-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-3-buten-2-oneNS000792894-(2,6,6-Trimethyl-2-cyclohexenyl)-3-buten-2-one
데이터베이스 식별자
- CAS
31798-12-6、6901-97-9、8013-90-9- PubChem CID
- 24680
- DTXSID
DTXSID7044477- EC Number
- 232-396-8、250-812-6、939-953-0
물성
구조 계산 물성
- XLogP
- 3
- 극성 표면적
- 17.1 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 14
- 형식 전하
- 0
- 복잡도
- 282
실험 및 물리화학적 성질
FragrancesFragrance Ingredient (Ionone (mixed isomers)) -> IFRA transparency List
Physical DescriptionLiquid
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
H411 (> 99.9%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P273, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1647 reports by companies from 6 notifications to the ECHA C&L Inventory.
H411 (100%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P273, P391, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
유해성 정보
Regulatory Information
Chemical: Ionone
Ionone is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Ionone 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)
Ionone: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - Ionones: Human health tier II assessment
Hazard Classes and Categories
Aquatic Chronic 2 (> 99.9%)
Aquatic Chronic 2 (100%)
Skin irritation - category 2
Self-reactive substances and mixtures - Type G
화학 및 산업
용도 및 제조
U.S. Production2023: 22,360 lb
Consumer UsesFragrance
Industry UsesFragrance
Household ProductsInformation on 39 consumer products that contain Ionone in the following categories is provided:
Use ClassificationFragrance Ingredients
General Manufacturing Information
All Other Chemical Product and Preparation Manufacturing
Ionone: ACTIVE
관련 반응
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