1-(2-Naphthalinyl)ethanon
2-Acetylnaphthalene
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Grundinformationen
- CAS
1333-52-4- Standard-SMILES
CC(=O)c1ccc2ccccc2c1- InChIKey
XSAYZAUNJMRRIR-UHFFFAOYSA-N- Summenformel
- C12H10O
- Durchschnittliche Molmasse
- 170,21 g/mol
- Monoisotopische Masse
- 170,07316494
Überblick
2-acetylnaphthalene is a naphthyl ketone that is naphthalene substituted at position 2 by an acetyl group.
Namen und Bezeichner
- Bevorzugter Name
- 2-Acetylnaphthalene
- IUPAC
- 1-naphthalen-2-ylethanone
- Lokaler Name
- 1-(2-Naphthalinyl)ethanon
- Englischer Name
- 2-Acetonaphthone
- Summenformel
- C12H10O
- Molmasse
- 170.21
Namen und Synonyme
2-Acetylnaphthalene2-Acetonaphthone93-08-32'-Acetonaphthone1-(naphthalen-2-yl)ethanoneMethyl 2-naphthyl ketoneEthanone, 1-(2-naphthalenyl)-1-(2-Naphthyl)ethanone2-Naphthyl methyl ketoneAcetonaphthoneMethyl beta-naphthyl ketoneOranger cyrstals
Weitere Namen anzeigen
ORANGE IIMETHYL NAPHTHYL KETONEMethyl β-naphthyl ketoneORANGE 2ACID ORANGE IIFEMA 27232-Acetonaphthone99%
beta-AcetonaphthoneCetone D1-(2-NAPHTHALENYL)ETHANONEbeta-AcetonaphthaleneOranger crystalsKetone, methyl 2-naphthylbeta-Naphthyl methyl ketone1-(naphthalen-2-yl)ethan-1-one
Datenbank-Bezeichner
- CAS
1333-52-4、93-08-3- PubChem CID
- 7122
- DTXSID
DTXSID2041389- ChEMBL
CHEMBL3183700
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- XLogP
- 3,2
- Polarare Oberfläche (TPSA)
- 17,1 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 13
- Formalladung
- 0
- Komplexität
- 197
Experimentelle und physikochemische Eigenschaften
Chemical ClassesOther Classes -> Naphthalenes
PolymersPolycyclic aromatic compound
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
Fragrances
Fragrance Ingredient (1-(Naphthyl)ethan-1-one) -> IFRA transparency List
Fragrance Ingredient (Methyl beta-naphthyl ketone) -> IFRA transparency List
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Flavoring AgentsEU Flavoring substances
Solubility
0.272 mg/mL at 25 °C
insoluble in water; soluble in organic solvents, oils
soluble (in ethanol)
Boiling Point
300.00 to 301.00 °C. @ 760.00 mm Hg
300 °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
This chemical does not meet GHS hazard criteria for 67.4% (1321 of 1959) of all reports.
Warning
H302 (11.3%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P273, P280, P301+P317, P302+P352, P321, P330, P332+P317, P362+P364, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1959 reports by companies from 16 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Warning
Gefahrenhinweise
Regulatory Information
Chemical: Ethanone, 1-(2-naphthalenyl)-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Ethanone, 1-(2-naphthalenyl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Ethanone, 1-(2-naphthalenyl)- 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)
Status: Active Update: 16-12-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/11282
2-Acetylnaphthalene: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummarySafe when used as a flavoring agent in food; [JECFA] A skin and strong eye irritant; [Alfa Aesar MSDS] See Naphthalene.
Hazard Classes and Categories
Acute Tox. 4 (11.3%)
Acute Tox. 4 (100%)
Toxikologische Informationen
Chemie und Industrie
Pharmakologische Informationen
Cellular LocationsMembrane
Verwendung und Herstellung
UsesPermitted for use as an inert ingredient in non-food pesticide products; [EPA] Used as flavoring agent or adjuvant; [FDA]
U.S. Production2023: 7,000,000 - <8,500,000 lb
Consumer UsesFragrance
Industry UsesFragrance
IFRA Fragrance Standards
Methyl beta-naphthyl ketone
2-Acetonaphthone; β-Acetylnaphthalene; Cetone d; Ethanone, 1-(2-naphthalenyl); β-Methyl naphthyl ketone; β-Naphthyl methyl ketone; Oranger crystals
IFRA_STD_095.pdf
49
IFRA 51st Amendment - Guidance for the use of IFRA Standards
Restriction: This material should be used only in the limited quantity as stated in the Standard
Household ProductsInformation on 27 consumer products that contain 2-Acetylnaphthaleneââ¬Â¨ in the following categories is provided:
Use Classification
Fragrance Ingredients
Fragrance Ingredients
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
General Manufacturing Information
All Other Chemical Product and Preparation Manufacturing
Ethanone, 1-(2-naphthalenyl)-: ACTIVE
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