기본 정보
- CAS
54440-17-4- 표준 SMILES
CC1C(=O)c2ccccc2C1(C)C- InChIKey
KZSUMHASCAWKLE-UHFFFAOYSA-N- 분자식
- C12H14O
- 평균 분자량
- 174.24 g/mol
- 단동위원소 질량
- 174.10446507
이름 및 식별자
- 우선 이름
- 2,3,3-Trimethylindanone
- IUPAC
- 2,3,3-trimethyl-2H-inden-1-one
- 현지명
- 1H-인덴-1-온,2,3-디하이드로-2,3,3-트리메틸-
- 영어명
- 1H-Inden-1-one, 2,3-dihydro-2,3,3-trimethyl-
- 분자식
- C12H14O
- 분자량
- 174.24
이름 및 동의어
2,3,3-Trimethylindanone54440-17-41H-Inden-1-one, 2,3-dihydro-2,3,3-trimethyl-19D876M98BSAFRALEINEFEMA NO. 4556DTXSID208861012,3,3-TRIMETHYL-1-INDANONE2,3-dihydro-2,3,3-trimethyl-1h-inden-1-oneRefChem:441600DTXCID201025443639-608-1
이름 더 보기
1H-인덴-1-온,2,3-디하이드로-2,3,3-트리메틸-SAFRALEINE/2,3,3-triMethylInden-1-one
2,3,3-trimethyl-2H-inden-1-oneUNII-19D876M98B2,3,3-trimethyl-2,3-dihydro-1h-inden-1-oneSAFFRON INDENONESCHEMBL4811243,3,2-Trimethyl-1-indanoneSCHEMBL293649501-INDANONE, 2,3,3-TRIMETHYL-
데이터베이스 식별자
- CAS
54440-17-4- PubChem CID
- 10149036
- DTXSID
DTXSID20886101- UNII
- 19D876M98B
- EC Number
- 459-090-9、639-608-1
- Nikkaji
- J3.781.920D
물성
구조 계산 물성
- XLogP
- 3.1
- 극성 표면적
- 17.1 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 13
- 형식 전하
- 0
- 복잡도
- 229
실험 및 물리화학적 성질
FragrancesFragrance Ingredient (2,3,3-Trimethylindanone) -> IFRA transparency List
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density1.015-1.025
Solubility
Practically insoluble or insoluble in water
Sparingly soluble (in ethanol)
Boiling Point250-252 °C
Refractive Index1.532-1.542
Physical DescriptionColourless to clear yellow liquid; Herbal spicy saffron leather tobacco aroma
물리화학적 성질
- 끓는 점
- 136.5 °C · 136.5 °C(Press: 18 Torr)
- 밀도
- 1.018 g/cm3 · 1.018 g/cm3(Temp: 23 °C)
- FEMA
- 4556 · 4556 | 2,3,3-TRIMETHYLINDANONE
- 냄새
- 10 % · 디프로필렌 글리콜 중 10.00%. 허브 가죽 사프란 요오드 페놀릭 담배 우디
- 냄새 유형
- 약초
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H315 (97.5%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P273, P280, P302+P352, P321, P332+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1323 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Warning
H315 (72.9%): Causes skin irritation [Warning Skin corrosion/irritation]
유해성 정보
Regulatory Information
Chemical: 1H-Inden-1-one, 2,3-dihydro-2,3,3-trimethyl-
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
REACH registered substance: 2,3,3-TRIMETHYLINDAN-1-ONE (EC: 459-090-9)
Hazard Classes and Categories
Skin Irrit. 2 (97.5%)
Skin Irrit. 2 (72.9%)
안전 데이터
- tsca
- TSCA listed
화학 및 산업
용도 및 제조
Household ProductsInformation on 1 consumer products that contain 2,3,3-Trimethylindanone in the following categories is provided:
Use Classification
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
General Manufacturing Information1H-Inden-1-one, 2,3-dihydro-2,3,3-trimethyl-: ACTIVE
공급사12 곳
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
Syntechem Co.,Ltd[email protected]
吉良化学21-62165282 · [email protected]
湖北微斯汀科技有限公司027-61182895 13367240285 · [email protected]
荆州市尹杰化工有限公司18008658728 · [email protected]
北京珐默兹医药科技有限公司15811073878 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
BOC Sciences+1-631-485-4226 · [email protected]
上海鼎芬化学科技有限公司021-57450129 17701764569 · [email protected]
杭州药睿易成生物医药有限公司
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