Grundinformationen
- Standard-SMILES
CC(O)C(=O)OCc1ccccc1- InChIKey
ZYTLPUIDJRKAAM-UHFFFAOYSA-N- Summenformel
- C10H12O3
- Durchschnittliche Molmasse
- 180,2 g/mol
- Monoisotopische Masse
- 180,07864424
Überblick
structure in first source
Namen und Bezeichner
- Bevorzugter Name
- Benzyl lactate
- IUPAC
- benzyl 2-hydroxypropanoate
- Lokaler Name
- Benzyllactat
- Englischer Name
- Benzyl lactate
- Summenformel
- C10H12O3
- Molmasse
- 180.2
Namen und Synonyme
Benzyl lactatebenzyl 2-hydroxypropanoate2051-96-9Propanoic acid, 2-hydroxy-, phenylmethyl esterBenzyl 2-hydroxypropionateZQH3G756Z6NSC-72745DTXSID70862819RefChem:118881DTXCID00811537218-136-6lactic acid benzyl ester
Weitere Namen anzeigen
2-hydroxy-propanoicaciphenylmethylester
(+/-)-Benzyl lactateEINECS 218-136-6MFCD00157065AI3-157202-hydroxy-propionic acid benzyl esterBenzyllactatebenzyl-l-lactate2-hydroxypropionic acid benzyl ester
Datenbank-Bezeichner
- CAS
2051-96-9- PubChem CID
- 98054
- DTXSID
DTXSID70862819- UNII
- ZQH3G756Z6
- EC Number
- 218-136-6
- Nikkaji
- J298.669H
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,4
- Polarare Oberfläche (TPSA)
- 46,5 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 4
- Schwere Atome
- 13
- Formalladung
- 0
- Komplexität
- 162
Experimentelle und physikochemische Eigenschaften
FragrancesFragrance Ingredient (Benzyl 2-hydroxypropionate) -> IFRA transparency List
Flavoring AgentsEU Flavoring substances
Physikochemische Eigenschaften
- Schmelzpunkt
- 41 · 41-42 °C
- Siedepunkt
- 128 · 128-130 °C(Press: 5-6 Torr)
- Dichte
- 1.15 · 1.150±0.06 g/cm3(Predicted)
- storage temp.
- 2 · Storage temp. 2-8°C
- pka
- 13.03 · 13.03±0.20(Predicted)
- Aggregatzustand
- Liquid (Density: 1.150±0.06 g/cm3)
- Farbe
- Colorless to light yellow
- Geruch (Odor)
- 100 % · at 100.00 %. floral fatty butter fruity
- Geruchsart
- floral
- LogP
- 1.153 · 1.153 (est)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (102 of 102) of all reports.
Not Classified
Aggregated GHS information provided per 102 reports by companies from 1 notifications to the ECHA C&L Inventory.
Gefahrenhinweise
Regulatory Information
Chemical: Propanoic acid, 2-hydroxy-, phenylmethyl ester
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Propanoic acid, 2-hydroxy-, phenylmethyl ester: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - Propanoic acid, 2-hydroxy-, phenylmethyl ester: Environment tier I assessment
Hazard Classes and CategoriesNot Classified
Sicherheitsdaten
- Alarmwort
- Warnung
- Gefahrenhinweise
- Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H302
Chemie und Industrie
Verwendung und Herstellung
Use ClassificationFragrance Ingredients
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