Basic information
- Standard SMILES
COC(=O)[C@@H](C)O- InChIKey
LPEKGGXMPWTOCB-GSVOUGTGSA-N- Molecular formula
- C4H8O3
- Average molar mass
- 104.1 g/mol
- Monoisotopic mass
- 104.04734412
Overview
Methyl (R)-lactate is a methyl lactate that has R configuration. It is functionally related to a (R)-lactic acid. It is an enantiomer of a methyl (S)-lactate.
Names & identifiers
- Preferred name
- (+)-Methyl lactate
- IUPAC
- methyl (2R)-2-hydroxypropanoate
- English name
- Methyl (R)-(+)-lactate
- Molecular formula
- C4H8O3
- Molecular weight
- 104.1
Names & synonyms
17392-83-5Methyl (R)-lactateD-methyl lactateD-Lactic acid methyl esterMethyl lactate, (+)-(+)-methyl lactateD-lactate methyl ester45MZ1T3TBVCHEBI:74611DTXSID201045071RefChem:157123DTXCID401526992
Show more names
Methyl (R)-2-HydroxypropanoateMETHYL-(R)-LACTATEMethyl-D-lactate >=99.0%,Chiral gradeDLAMD- METHYL D-LACTATE
241-420-6Methyl (R)-(+)-lactate(R)-Methyl 2-hydroxypropanoatemethyl (2R)-2-hydroxypropanoatemethyl D-lactateMethyl D-(+)-Lactate(R)-methyl lactate(+)-Methyl D-lactate
Database identifiers
- CAS
17392-83-5- PubChem CID
- 637514
- DTXSID
DTXSID201045071- ChEBI
CHEBI:74611- UNII
- 45MZ1T3TBV
- EC Number
- 241-420-6
- Nikkaji
- J208.669G
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 69.3
Experimental & physicochemical properties
SpringerMaterials PropertiesOptical coefficient
Physicochemical properties
- Boiling point
- 144 · 144-145 °C(lit.)
- alpha
- 8.5 · 8.5 º (c=neat)
- Density
- 1.09 g/mL · 1.09 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.413(lit.)
- Flash point
- 121 °F · 121 °F
- storage temp.
- 2 · Inert atmosphere,2-8°C
- solubility
- Chloroform, Ethyl Acetate (Slightly), Methanol (Slightly)
- form
- Liquid
- pka
- 13.07 · 13.07±0.20(Predicted)
- color
- Clear colorless
- optical activity
- 21 · [α]21/D +8.4°, neat
- Water Solubility
- miscible, hydrolyses
- Merck
- 14 · 14,6094
- InChI
- 1S/C4H8O3/c1-3(5)4(6)7-2/h3,5H,1-2H3/t3-/m1/s1
- InChIKey
- LPEKGGXMPWTOCB-GSVOUGTGSA-N
- SMILES
- COC(=O)[C@@H](C)O
- LogP
- -0.719 · -0.719 (est)
- CAS DataBase Reference
- 17392 · 17392-83-5(CAS DataBase Reference)
- FDA UNII
- 45 MZ1T3TBV · 45MZ1T3TBV
- UNSPSC Code
- 12352108 · 12352108
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 2 · GHS02,GHS07
- Signal word
- Warning
- Hazard statements
- 226 · H226-H319-H335
- Precautionary statements
- 210 · P210-P305+P351+P338
- target organs
- Respiratory system
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- Hazard Codes
- Xi
- Risk Statements
- 10 · 10-36/37
- Safety Statements
- 16 · 16-24-24/25
- RIDADR
- 3272 · UN 3272 3/PG 3
- WGK Germany
- 1 · 1
- HazardClass
- 3 · 3
- PackingGroup
- III
- HS Code
- 29181100 · 29181100
- Storage Class
- 3 · 3 - Flammable liquids
- Hazard Classifications
- 2 Flam · Eye Irrit. 2Flam. Liq. 3STOT SE 3
- REACH Registrations
- Active
- Limited Quantities
- 5 L · 5.0 L (1.3 gallons) (liquid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Safety & regulation
GHS classification
GHS Classification
Warning
H226: Flammable liquid and vapor [Warning Flammable liquids]
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
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
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)
Hazard information
Regulatory InformationStatus: Active Update: 08-11-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/5610
Hazard Classes and Categories
Flam. Liq. 3 (100%)
Flammable liquid - category 3
Flam. Liq. 3
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 1
- ridadr
- UN 3272 3/PG 3
- hs_code
- 29181100
- risk_code
- 10-36/37
- Signal word
- Warning
- Symbol(GHS)
- GHS02,GHS07
- hazard_code
- Xi
- safety_code
- 16-24-24/25
- hazard_class
- 3
- Storage Class
- 3 - Flammable liquids
- packing_group
- III
- target organs
- Respiratory system
- Hazard statements
- H226-H319-H335
- Limited Quantities
- 5.0 L (1.3 gallons) (liquid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
- REACH Registrations
- Active
- Hazard Classifications
- Eye Irrit. 2Flam. Liq. 3STOT SE 3
- Precautionary statements
- P210-P305+P351+P338
Chemistry & industry
Applications
Uses(+)-Methyl D-lactate can be used as a starting material in the asymmetric preparation of: Neomethymycin, a macrolide which contains 12-membered macrolactone that is used as a potent biological agent. PM-toxin A.It can also be used as a chiral pool along with D-(-)-tartaric acid in the stereoselective total synthesis of separacenes A and B via Trost-Rychnovsky alkyne rearrangement, Horner-Wadsworth-Emmons olefination as well as Corey-Bakshi-Shibata reaction.
General DescriptionThis compound has benign qualities and is biodegradable, water miscible, and functions as a versatile solvent for CA membrane preparation. This is also used as an intermediate for the production of other chemicals, polymers, and derivatives. Thus this product has been enhanced for Safer solvents and auxiliaries.
Upstream & downstream products
Upstream raw materials
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Additional notes
DefinitionChEBI: A methyl lactate that has R configuration.
Related reactions
58 records
Linked notes
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