Benzylbutyrat

Benzyl butyrate

HCID 7650CAS 103-37-7
TeilstruktursucheÄhnliche Strukturen suchen

Grundinformationen

Standard-SMILES
CCCC(=O)OCc1ccccc1
InChIKey
VONGZNXBKCOUHB-UHFFFAOYSA-N
Summenformel
C11H14O2
Durchschnittliche Molmasse
178,23 g/mol
Monoisotopische Masse
178,09937969

Überblick

Phenylmethyl butanoate is a carboxylic ester. It is functionally related to a benzyl alcohol.

Namen und Bezeichner

Bevorzugter Name
Benzyl butyrate
IUPAC
benzyl butanoate
Lokaler Name
Benzylbutyrat
Englischer Name
Benzyl butyrate
Summenformel
C11H14O2
Molmasse
178.23

Namen und Synonyme

Benzyl butyrateBenzyl butanoateBenzyl n-butyratePhenylmethyl butanoateButanoic acid, phenylmethyl esterBenzyl n-butanoateButyric acid, benzyl esterPhenylmethyl butyrateBenzyl butyrate (natural)Benzylester kyseliny maselneFEMA No. 2140BENZYLBUTYRATE
Weitere Namen anzeigen
FEMA 2140Benzyl blltyrateBUTYRIC ACID BENZYL ESTERBenzylbutyratBcnzylbutyrat
NSC 8073DTXSID7047510BENZYL-N-BUTYRATEButanoic acid, benzyl estern-Butyric acid benzyl esterBenzylester kyseliny maselne [Czech]EINECS 203-105-1UNII-84L0NDE31F

Datenbank-Bezeichner

CAS
103-37-7
PubChem CID
7650
DTXSID
DTXSID7047510
ChEMBL
CHEMBL3183179
ChEBI
CHEBI:173824
UNII
84L0NDE31F
EC Number
203-105-1
Nikkaji
J35.107E

Eigenschaften

Berechnete Struktureigenschaften

XLogP
2,8
Polarare Oberfläche (TPSA)
26,3 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
2
Frei drehbare Bindungen
5
Schwere Atome
13

Experimentelle und physikochemische Eigenschaften

SpringerMaterials PropertiesDiamagnetic susceptibility
FragrancesFragrance Ingredient (Benzyl butyrate) -> IFRA transparency List
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density1.005-1.012
Flavoring AgentsEU Flavoring substances
Solubility · 2 Einträge

insoluble in water, glycols, glycerol; soluble in organic solvents, oils

miscible at room temperature (in ethanol)

Physikochemische Eigenschaften

Siedepunkt
240 °C · 240 °C (lit.)
Dichte
1.009 g/mL · 1.009 g/mL at 25 °C (lit.)
Dampfdruck
11.97 hPa · 11.97 hPa (109 °C)
FEMA
2140 · 2140 | BENZYL BUTYRATE
Brechungsindex
20 · n20/D 1.494(lit.)
Flammpunkt
225 °F · 225 °F

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 3 Einträge

This chemical does not meet GHS hazard criteria for 99.2% (1632 of 1645) of all reports.

Not Classified

Aggregated GHS information provided per 1645 reports by companies from 2 notifications to the ECHA C&L Inventory.

Gefahrenhinweise

Regulatory Information · 4 Einträge

Chemical: Butanoic acid, phenylmethyl ester

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

REACH registered substance: Benzyl butyrate (EC: 203-105-1)

Butanoic acid, phenylmethyl ester: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationIMAP assessments - Butanoic acid, phenylmethyl ester: Human health tier I assessment
Hazard Classes and CategoriesNot Classified

Sicherheitsdaten

wgk
2
tsca
TSCA listed
hs_code
29156000
RTECS-Nr.
ES7350000
Toxizität
LD50 orally in Rabbit: 2330 mg/kg LD50 dermal Rabbit > 5000 mg/kg
safety_code
24/25

Chemie und Industrie

Pharmakologische Informationen

Cellular LocationsMembrane

Verwendung und Herstellung

Household ProductsInformation on 4 consumer products that contain Benzyl Butyrate in the following categories is provided:
Use Classification · 5 Einträge

Fragrance Ingredients

Flavoring Agents -> JECFA Flavorings Index

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

General Manufacturing InformationButanoic acid, phenylmethyl ester: ACTIVE

Anwendungen

OccurrenceReported found in papaya, black tea, Passiflora edulis juice, cherimoya (Annona cheremolia Mill.), Bourbon vanilla, mountain papaya and hog plum (Spondias mombins L.).

VerwendenPlasticizer, odorants, flavoring.

Darstellung

synthetischeBy heating benzyl chloride and sodium butyrate in water or butyric acid and benzyl chloride under pressure.

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]
湖南韵邦生物科技股份有限公司85561037 15386497078 · [email protected]
南通润丰石油化工有限公司66017690 19952660367 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]

Zugehörige Reaktionen

0
Reaktionsaufzeichnung erstellen

Keine Reaktionsaufzeichnungen unter den aktuellen Filterkriterien.

Verknüpfte Notizen

Wird geladen…