2,3,3-Trimethylindanone
Grundinformationen
- CAS
54440-17-4- Standard-SMILES
CC1C(=O)c2ccccc2C1(C)C- InChIKey
KZSUMHASCAWKLE-UHFFFAOYSA-N- Summenformel
- C12H14O
- Durchschnittliche Molmasse
- 174,24 g/mol
- Monoisotopische Masse
- 174,10446507
Namen und Bezeichner
- Bevorzugter Name
- 2,3,3-Trimethylindanone
- IUPAC
- 2,3,3-trimethyl-2H-inden-1-one
- Englischer Name
- 1H-Inden-1-one, 2,3-dihydro-2,3,3-trimethyl-
- Summenformel
- C12H14O
- Molmasse
- 174.24
Namen und Synonyme
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
Weitere Namen anzeigen
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-
Datenbank-Bezeichner
- CAS
54440-17-4- PubChem CID
- 10149036
- DTXSID
DTXSID20886101- UNII
- 19D876M98B
- EC Number
- 459-090-9、639-608-1
- Nikkaji
- J3.781.920D
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3,1
- Polarare Oberfläche (TPSA)
- 17,1 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 13
- Formalladung
- 0
- Komplexität
- 229
Experimentelle und physikochemische Eigenschaften
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
Physikochemische Eigenschaften
- Siedepunkt
- 136.5 °C · 136.5 °C(Press: 18 Torr)
- Dichte
- 1.018 g/cm3 · 1.018 g/cm3(Temp: 23 °C)
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
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]
Gefahrenhinweise
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%)
Sicherheitsdaten
- tsca
- TSCA listed
Chemie und Industrie
Verwendung und Herstellung
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
Anbieter12 Anbieter
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]
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