Benzyl acetone (HCID 17355)

Überblick

4-phenylbutan-2-one is a ketone.

Namen und Bezeichner

Bevorzugter Name: Benzyl acetone
IUPAC: 4-phenylbutan-2-one
Lokaler Name: 4-Phenylbutan-2-on
Englischer Name: Benzylacetone
Summenformel: C10H12O
Molmasse: 148.2

Namen und Synonyme

Benzyl acetoneRefChem:118924BENZYLACETONE4-Phenylbutan-2-one2550-26-74-Phenyl-2-butanone4-Penylbutan-2-one2-Butanone, 4-phenyl-1-Phenyl-3-butanoneMethyl phenethyl ketonePhenethyl methyl ketoneMethyl 2-phenylethyl ketone

Weitere Namen anzeigen

Benzylaceton4-phenylbutanone4-phenyl-2-butanon4-methyl benzyl acetone

4-Phenyl-butan-2-oneMethyl phenylethyl ketoneMFCD00008790NSC 8132-Phenylethyl methyl ketoneNSC 44829DTXSID6033241UZM5QH16YW

Datenbank-Bezeichner

CAS: 2550-26-7
PubChem CID: 17355
DTXSID: DTXSID6033241
ChEMBL: CHEMBL1490851
ChEBI: CHEBI:195507
UNII: UZM5QH16YW
EC Number: 219-847-4
Nikkaji: J31.102B

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,8
Polarare Oberfläche (TPSA): 17,1 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 3
Schwere Atome: 11
Formalladung: 0
Komplexität: 123

Experimentelle und physikochemische Eigenschaften

Chemical ClassesOther Classes -> Aromatic Ketones

SpringerMaterials PropertiesBoiling point

FragrancesFragrance Ingredient (Benzyl acetone) -> IFRA transparency List

Flavoring AgentsEU Flavoring substances

Physical Description · 2 Einträge

Dry Powder; Liquid; Liquid

Clear colorless liquid; [Aldrich MSDS]

Physikochemische Eigenschaften

Schmelzpunkt: -13 °C · -13°C
Siedepunkt: 235 °C · 235 °C(lit.)
Dichte: 0.989 g/mL · 0.989 g/mL at 25 °C(lit.)
Dampfdruck: 0.0386 hPa · 0.0386 hPa (20 °C)
Brechungsindex: 20 · n20/D 1.512(lit.)
Flammpunkt: 209 °F · 209 °F
storage temp.: Sealed in dry,Room Temperature
Löslichkeit: Chloroform, Methanol
Aggregatzustand: Liquid
Farbe: Clear colorless to pale yellow
Geruch (Odor): 100 % · at 100.00 %. floral balsam
Geruchsart: floral
Wasserlöslichkeit: PRACTICALLY INSOLUBLE
BRN: 1907123 · 1907123
Kosmetik-Inhaltsstoffe Funktionen: PERFUMING
InChI: 1S/C10H12O/c1-9(11)7-8-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3
InChIKey: AKGGYBADQZYZPD-UHFFFAOYSA-N
SMILES: CC(=O)CCc1ccccc1
LogP: 2 at · 2 at 25℃
CAS Datenbank: 2550 · 2550-26-7(CAS DataBase Reference)
NIST chemische Informationen: 4 · 4-Phenyl-2-butanone(2550-26-7)
EPA chemische Informationen: 2 · 2-Butanone, 4-phenyl- (2550-26-7)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 3 Einträge

This chemical does not meet GHS hazard criteria for 97% (1571 of 1619) of all reports.

Not Classified

Aggregated GHS information provided per 1619 reports by companies from 6 notifications to the ECHA C&L Inventory.

Gefahrenhinweise

Regulatory Information · 5 Einträge

Chemical: 2-Butanone, 4-phenyl-

Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)

2-Butanone, 4-phenyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Butanone, 4-phenyl- 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: 08-07-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/12477

Benzylacetone: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryA severe skin irritant; [RTECS] Can cause severe irritation or burns to skin; [Aldrich MSDS]

Hazard Classes and CategoriesNot Classified

Toxikologische Informationen

Adverse EffectsDermatotoxin - Skin burns.

Sicherheitsdaten

wgk: 1
tsca: TSCA listed
hs_code: 29143900
RTECS-Nr.: EL9600000
risk_code: 38
Toxizität: LD50 orally in Rabbit: 3200 mg/kg
hazard_code: Xi
safety_code: 37-24/25
Speicherklasse: 10 - Combustible liquids

Chemie und Industrie

Verwendung und Herstellung

U.S. Production2023: 550,000 - <1,000,000 lb

Consumer UsesFragrance

Industry UsesFragrance

Household ProductsInformation on 10 consumer products that contain Benzyl Acetone in the following categories is provided:

Use ClassificationFragrance Ingredients

General Manufacturing Information · 2 Einträge

Soap, Cleaning Compound, and Toilet Preparation Manufacturing

2-Butanone, 4-phenyl-: ACTIVE

Anwendungen

Verwenden4-Phenyl-2-butanone is an attractant compound found in the flower Nicotiana attenuata. It is also used in the preparation of 4-oxocyclohexanecarbaldehyde derivatives.

Darstellung

synthetischeBenzyl acetone is prepared by Claisen condensation of Benzaldehyde and Acetone, followed by hydrogenation of the formed Benzylidene acetone.

Vor- und nachgelagerte Produkte

Vorgelagerte Rohstoffe

Nachgelagerte Produkte

(3aR,4R,5R,6aS)-5-(Benzoyloxy)hexahydro-4-[(1E)-3-oxo-5-phenyl-1-pentenyl]-2H-cyclopenta[b]furan-2-one Labetalol Hydrochloride Impurity 19（(R,S)-Labetalol Hydrochloride）

Anbieter50 Anbieter

国药集团化学试剂有限公司86-21-63210123 · [email protected]

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]

Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]

武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]

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HRID 95404als EduktTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

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