Grundinformationen
- Standard-SMILES
COC(=O)[C@H](C)O- InChIKey
LPEKGGXMPWTOCB-VKHMYHEASA-N- Summenformel
- C4H8O3
- Durchschnittliche Molmasse
- 104,1 g/mol
- Monoisotopische Masse
- 104,04734411
Namen und Bezeichner
- Bevorzugter Name
- methyl (S)-lactate
- IUPAC
- methyl (2S)-2-hydroxypropanoate
- Lokaler Name
- Methyl-(S)-(-)-lactat
- Englischer Name
- Methyl (S)-(-)-lactate
- Summenformel
- C4H8O3
- Molmasse
- 104.1
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
27871-49-4- PubChem CID
- 94386
- DTXSID
DTXSID9074359- ChEBI
CHEBI:83222- UNII
- 0379G9C44S
- EC Number
- 248-704-9
- Nikkaji
- J183.056B
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- -0,1
- Polarare Oberfläche (TPSA)
- 46,5 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 7
- Formalladung
- 0
- Komplexität
- 69
Physikochemische Eigenschaften
- Schmelzpunkt
- -66 °C · -66°C
- Siedepunkt
- 145 °C · 145 °C(lit.)
- Dichte
- 1.092 g/mL · 1.092 g/mL at 20 °C(lit.)
- Brechungsindex
- 20 · n20/D 1.414
- Flammpunkt
- 121 °F · 121 °F
- storage temp.
- -20 °C · Sealed in dry,Store in freezer, under -20°C
- Aggregatzustand
- Liquid
- pka
- 13.07 · 13.07±0.20(Predicted)
- Farbe
- Clear
- Explosionsgrenze
- 2.2 % · 2.2%(V)
- Wasserlöslichkeit
- miscible, hydrolyses
- BRN
- 1720587 · 1720587
- Kosmetik-Inhaltsstoffe Funktionen
- SOLVENTFLAVOURINGPERFUMING
- InChI
- 1S/C4H8O3/c1-3(5)4(6)7-2/h3,5H,1-2H3/t3-/m0/s1
- InChIKey
- LPEKGGXMPWTOCB-VKHMYHEASA-N
- SMILES
- COC(=O)[C@H](C)O
- LogP
- -0.549 · -0.549 (est)
- CAS Datenbank
- 27871 · 27871-49-4(CAS DataBase Reference)
- EPA chemische Informationen
- 2 · Propanoic acid, 2-hydroxy-, methyl ester, (2S)- (27871-49-4)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H226: Flammable liquid and vapor [Warning Flammable liquids];H319: Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335: May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P210, P233, P240, P241, P242, P243, P261, P264+P265, P271, P280, P303+P361+P353, P304+P340, P305+P351+P338, P319, P337+P317, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Warning
Gefahrenhinweise
Regulatory Information
Chemical: Propanoic acid, 2-hydroxy-, methyl ester, (S)-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Status: Active Update: 30-03-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/5576
(S)-(-)-Methyl lactate: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and Categories
Flam. Liq. 3 (100%);Eye Irrit. 2A (98.9%);STOT SE 3 (100%)
Flammable liquid - category 3;Eye irritation - category 2;Specific target organ toxicity (single exposure) - category 3
Flam. Liq. 3;STOT SE 3;Eye Irrit. 2
Regulatorische Informationen
Regulatory Information
Chemical: Propanoic acid, 2-hydroxy-, methyl ester, (S)-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Status: Active Update: 30-03-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/5576
(S)-(-)-Methyl lactate: Does not have an individual approval but may be used under an appropriate group standard
Sicherheitsdaten
- F
- 21
- wgk
- 1
- tsca
- TSCA listed
- ridadr
- UN 3272 3/PG 3
- hs_code
- 29181100
- risk_code
- 10-36/37
- hazard_code
- Xi
- safety_code
- 24
- hazard_class
- 3
- packing_group
- III
- Speicherklasse
- 3 - Flammable liquids
- Hazard Classifications
- Eye Irrit. 2Flam. Liq. 3STOT SE 3
Chemie und Industrie
Verwendung und Herstellung
Anwendungen
VerwendenMethyl (S)-(-)-lactate is a methyl ester of L-Lactic acid.Methyl (S)-(-)-lactate is used in the synthesis of retinyl L-lactate by lipase-catalyzed transesterification .
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Ergänzende Hinweise
DefinitionChEBI: A methyl 2-hydroxypropionate that has S configuration.
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