Ameisensäure-phenylmethylester

Benzyl formate

HCID 7708CAS 104-57-4
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Grundinformationen

Standard-SMILES
O=COCc1ccccc1
InChIKey
UYWQUFXKFGHYNT-UHFFFAOYSA-N
Summenformel
C8H8O2
Durchschnittliche Molmasse
136,15 g/mol
Monoisotopische Masse
136,0524295

Überblick

Benzylformate is a carboxylic ester. It is functionally related to a benzyl alcohol.

Namen und Bezeichner

Bevorzugter Name
Benzyl formate
IUPAC
benzyl formate
Lokaler Name
Ameisensäure-phenylmethylester
Englischer Name
Benzyl formate
Summenformel
C8H8O2
Molmasse
136.15

Namen und Synonyme

Benzyl formate104-57-4Benzyl methanoatePhenylmethyl formateFormic acid, phenylmethyl esterBenzyl alcohol, formateFormic acid, benzyl esterFEMA No. 2145NSC-804979GJF97O0YDTXSID5059298RefChem:118869
Weitere Namen anzeigen
FEMA 2145jiasuanbianzhiNSC 8049BenzylformiatN-BENZYL FORMATEBenzylFormate>Benzyl methanoater
DTXCID7032846203-214-4FORMIC ACID BENZYL ESTERBenzyl formiatBenzylester kyseliny mravenciFormic acid-benzyl esterUNII-79GJF97O0YMFCD00014128

Datenbank-Bezeichner

CAS
104-57-4
PubChem CID
7708
DTXSID
DTXSID5059298
ChEBI
CHEBI:3057
UNII
79GJF97O0Y
EC Number
203-214-4
Nikkaji
J53.979A

Eigenschaften

Berechnete Struktureigenschaften

XLogP
1,6
Polarare Oberfläche (TPSA)
26,3 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
2
Frei drehbare Bindungen
3
Schwere Atome
10

Experimentelle und physikochemische Eigenschaften

DrugsPharmaceuticals -> Listed in ZINC15
SpringerMaterials PropertiesBoiling point
FragrancesFragrance Ingredient (Benzyl formate) -> IFRA transparency List
Food AdditivesFLAVOR ENHANCER, FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density1.082-1.092
Flavoring AgentsEU Flavoring substances

Physikochemische Eigenschaften

Schmelzpunkt
3.6 ℃ · 3.6℃
Siedepunkt
203 °C · 203 °C(lit.)
Dichte
1.088 g/mL · 1.088 g/mL at 25 °C(lit.)
Dampfdruck
1.69 hPa · 1.69hPa at 20℃
FEMA
2145 · 2145 | BENZYL FORMATE
Brechungsindex
20 · n20/D 1.511(lit.)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (> 99.9%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 1737 reports by companies from 8 notifications to the ECHA C&L Inventory.

Gefahrenhinweise

Regulatory Information · 4 Einträge

Chemical: Formic acid, phenylmethyl ester

Commission Regulation (EC) No 1565/2000 (Repealed by Com.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

Status: Active Update: 24-04-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/16783

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

Other Safety InformationIMAP assessments - Formic acid, phenylmethyl ester: Human health tier I assessment
Hazard Classes and CategoriesAcute Tox. 3 (> 99.9%)

Sicherheitsdaten

wgk
1
tsca
TSCA listed
ridadr
NA 1993 / PGIII
hs_code
29151300
RTECS-Nr.
LQ5400000
risk_code
21/22

Chemie und Industrie

Pharmakologische Informationen

Cellular LocationsCytoplasm

Verwendung und Herstellung

Use Classification · 4 Einträge

Fragrance Ingredients

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

General Manufacturing InformationFormic acid, phenylmethyl ester: ACTIVE
Anwendungen · 2 Einträge

OccurrenceReported found in the oil of Rosa rugosa, sour cherry, American cranberry, ligonberry, coffee, black tea, Agaricus mushroom, Ocimum basilicum, Bourbon vanilla and crowberry (Empetrum nigrum Coll.).

VerwendenSolvent for cellulose esters; in perfumery.It has a very sweet taste, more fruity than floral, spicy Banana-type. It is used quite frequently in perfume compositions, for floral bases such as Jasmin, Gardenia, NeroIi, Hyacinth, Carnation, and Fougeres and used in flavour compositions for imitation: Apricot, Banana, Cherry, Chocolate, Honey, Liquor, Nut, Peach, Plum, Prune, Pineapple, etc. Concentrations are usually about 12-15 ppm in the finished product. In chewing gum, the concentration may be as high as 35 ppm.

Darstellung

synthetischeBy heating a mixture of formic/acetic anhydride and benzyl alcohol to 50°C; by passing a mixture of formic acid and excess benzyl alcohol over a catalyst (ThO2 or TiO2) at high temperature.

Vor- und nachgelagerte Produkte

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]
南通润丰石油化工有限公司66017690 19952660367 · [email protected]
广州纳珑化工有限公司13192879270; 13192879270 · [email protected]

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