Dimethyl-[R(R,R)]-tartrat

Dimethyl L-tartrate

HCID 11851CAS 608-68-4

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Grundinformationen

Standard-SMILES: COC(=O)[C@H](O)[C@@H](O)C(=O)OC
InChIKey: PVRATXCXJDHJJN-QWWZWVQMSA-N
Summenformel: C6H10O6
Durchschnittliche Molmasse: 178,14 g/mol
Monoisotopische Masse: 178,04773804

Namen und Bezeichner

Bevorzugter Name: Dimethyl L-tartrate
IUPAC: dimethyl (2R,3R)-2,3-dihydroxybutanedioate
Lokaler Name: Dimethyl-[R(R*,R*)]-tartrat
Englischer Name: (+)-Dimethyl L-tartrate
Summenformel: C6H10O6
Molmasse: 178.14

Namen und Synonyme

608-68-4Dimethyl L-tartrateL-DIMETHYL TARTRATEEINECS 210-166-8Dimethyl (R(R*,R*))-tartrateNSC 517Dimethyl [R(R*,R*)]-tartrateDTXSID50883209L(+)tartaric acid dimethyl esterLDimethyl tartrate(+)Dimethyl LtartrateRefChem:588280

Weitere Namen anzeigen

L-DMT(+)-DimethyL[-CH(OH)CO2CH3]2(+)-Dimethyl L-tartrL-DiMethyl L-tartrate(+)-DIMETHYL TARTRATE(+) Dimethyl tartrateL(+)-DIMETHYL TARTRATE(+)-DimethylL-tartrate

Dimethyl (R(R*,R*))tartrateDTXCID9010227571,4-Dimethyl 2,3-dihydroxy-(2R,3R)butanedioateButanedioic acid, 2,3dihydroxy (2R,3R), dimethyl esterButanedioic acid, 2,3dihydroxy (2R,3R), 1,4dimethyl esterButanedioic acid, 2,3-dihydroxy-(2R,3R)-, 1,4-dimethyl ester210-166-8(+)-Dimethyl L-tartrate

Datenbank-Bezeichner

CAS: 608-68-4
PubChem CID: 11851
DTXSID: DTXSID50883209
UNII: R2E7EA6BJ2
EC Number: 210-166-8
Nikkaji: J127.927K

Eigenschaften

Berechnete Struktureigenschaften

XLogP: -1
Polarare Oberfläche (TPSA): 93,1 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 6
Frei drehbare Bindungen: 5
Schwere Atome: 12
Formalladung: 0
Komplexität: 157

Experimentelle und physikochemische Eigenschaften

Chemical ClassesOther Classes -> Esters, Other

Vapor Pressure0.000647 [mmHg]

Physical DescriptionWhite crystalline solid; [Sigma-Aldrich MSDS]

Physikochemische Eigenschaften

Schmelzpunkt: 57 · 57-60 °C (dec.) (lit.)
Siedepunkt: 163 °C/23 · 163 °C/23 mmHg (lit.)
Dichte: 1.238 g/mL · 1.238 g/mL at 25 °C (lit.)
Brechungsindex: 21 ° · 21 ° (C=2.5, H2O)
Flammpunkt: 230 °F · >230 °F
storage temp.: Inert atmosphere,Room Temperature
Aggregatzustand: Crystals
pka: 11.44 · 11.44±0.20(Predicted)
Farbe: White
Wichte: 1.3046 · 1.3046 (50/4℃)
Wasserlöslichkeit: Soluble in water.
BRN: 1726256 · 1726256
InChI: 1S/C6H10O6/c1-11-5(9)3(7)4(8)6(10)12-2/h3-4,7-8H,1-2H3/t3-,4-/m1/s1
InChIKey: PVRATXCXJDHJJN-QWWZWVQMSA-N
SMILES: COC(=O)[C@H](O)[C@@H](O)C(=O)OC
LogP: -1.35 · -1.350 (est)
CAS Datenbank: 608 · 608-68-4(CAS DataBase Reference)
NIST chemische Informationen: 2 · Butanedioic acid, 2,3-dihydroxy- [R-(R*,R*)]-, dimethyl ester(608-68-4)
EPA chemische Informationen: 2 · Butanedioic acid, 2,3-dihydroxy- (2R,3R)-, dimethyl ester (608-68-4)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Gefahrenhinweise

Regulatory InformationButanedioic acid, 2,3-dihydroxy- (2R,3R)-, dimethyl ester: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryMay cause irritation; [Sigma-Aldrich MSDS] See L-Tartaric acid.

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheitsdaten

wgk: 3
tsca: TSCA listed
hs_code: 29181300
risk_code: 36/37/38
hazard_code: Xi
safety_code: 24/25-36/37-26
Speicherklasse: 11 - Combustible Solids

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing InformationButanedioic acid, 2,3-dihydroxy- (2R,3R)-, 1,4-dimethyl ester: ACTIVE

Anwendungen

Verwenden(+)-Dimethyl L-tartrate is used as a starting reagent in the synthesis of (+)-Monomorine I, a pyrrolidine-based alkaloid that is a trail pheromone of the Pharaoh’s ant (Monomorium pharaonis).