1-(2-Naphthalinyl)ethanon

2-Acetylnaphthalene

HCID 7122CAS 1333-52-4
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Grundinformationen

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
ChEBI
CHEBI:52364
UNII
21D49LOP2T
EC Number
202-216-2、215-594-9
Nikkaji
J2.840A

Eigenschaften

Berechnete Struktureigenschaften

XLogP
3,2
Polarare Oberfläche (TPSA)
17,1 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
1
Frei drehbare Bindungen
1
Schwere Atome
13

Experimentelle und physikochemische Eigenschaften

Chemical ClassesOther Classes -> Naphthalenes
PolymersPolycyclic aromatic compound
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
Fragrances · 2 Einträge

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

Physikochemische Eigenschaften

Schmelzpunkt
52 · 52-56 °C (lit.)
Siedepunkt
300 · 300-301 °C (lit.)
Dichte
1.12 g/mL · 1.12 g/mL at 25 °C(lit.)
Dampfdruck
0.12 Pa · 0.12Pa at 25℃
FEMA
2723 · 2723 | METHYL BETA-NAPHTHYL KETONE
Brechungsindex
20 · n20/D 1.628(lit.)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

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 · 5 Einträge

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 · 2 Einträge

Acute Tox. 4 (11.3%)

Acute Tox. 4 (100%)

Toxikologische Informationen

Carcinogen ClassificationNo indication of carcinogenicity to humans (not listed by IARC).

Sicherheitsdaten

wgk
3
tsca
TSCA listed
ridadr
UN3077
hs_code
29143900
RTECS-Nr.
DB7084000
risk_code
36/37/38-51/53-22-20/21/22

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 · 6 Einträge

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-Acetylnaphthalene
 in the following categories is provided:
Anwendungen · 1 Eintrag

Verwenden2-Acetonaphthone is a flavoring agent that is a crystalline solid (white or nearly white) with orange blossom-like odor. It is soluble in most fixed oils, slightly soluble in mineral oil and propylene glycol, and insoluble in glycerin. It is obtained by chemical synthesis.

Darstellung

synthetische2-Acetonaphthone may be prepared by Friedel-Crafts reaction of naphthalene, acetyl chloride and AlCl3.

Vor- und nachgelagerte Produkte

Anbieter50 Anbieter

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
INTATRADE GmbH+49 3493/605464 · [email protected]
河北创海生物科技有限公司+86-86-13131129325 · [email protected]

Ergänzende Hinweise

DefinitionChEBI: 2-acetylnaphthalene is a naphthyl ketone that is naphthalene substituted at position 2 by an acetyl group.

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