CAS 608-68-4 Dimethyl L-tartrate (HCID 11851)

名称と識別子

優先名称: Dimethyl L-tartrate
IUPAC: dimethyl (2R,3R)-2,3-dihydroxybutanedioate
現地名: L-(+)-酒石酸ジメチル
英語名: (+)-Dimethyl L-tartrate
分子式: C6H10O6
分子量: 178.14

名称と別名

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

名称をさらに表示

L-(+)-酒石酸ジメチル(2R,3R)-酒石酸ジメチル酒石酸ジメチルL-酒石酸ジメチル(+)-L-酒石酸ジメチル(2R,3R)-2,3-ジヒドロキシブタン二酸ジメチルL-トレアル酸ジメチル(+)-酒石酸ジメチル(2R,3R)-2,3-ジヒドロキシこはく酸ジメチルL(+)-酒石酸ジメチルL(+)‐酒石酸ジメチルL-酒石酸(+)-ジメチルL-(+)-酒石酸ジメチルエステル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

データベース識別子

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

物性

構造計算による物性

XLogP: -1
極性表面積: 93.1 Å²
水素結合供与体数: 2
水素結合受容体数: 6
回転可能結合数: 5
重原子数: 12
形式電荷: 0
複雑度: 157

実験および物理化学的性質

Chemical ClassesOther Classes -> Esters, Other

Vapor Pressure0.000647 [mmHg]

Physical DescriptionWhite crystalline solid; [Sigma-Aldrich MSDS]

物理化学的性質

融点: 57 · 57-60 °C (dec.) (lit.)
比旋光度: 21 · 21 º (c=10, H2O)
沸点: 163 °C/23 · 163 °C/23 mmHg (lit.)
比重(密度): 1.238 g/mL · 1.238 g/mL at 25 °C (lit.)
屈折率: 21 ° · 21 ° (C=2.5, H2O)
闪点: 230 °F · >230 °F
貯蔵温度: Inert atmosphere,Room Temperature
外見: クリスタル
酸解離定数(Pka): 11.44 · 11.44±0.20(Predicted)
色: 白い
比重: 1.3046 · 1.3046 (50/4℃)
水溶解度: 水に溶ける。
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 データベース: 608 · 608-68-4(CAS DataBase Reference)
NISTの化学物質情報: 2 · Butanedioic acid, 2,3-dihydroxy- [R-(R*,R*)]-, dimethyl ester(608-68-4)
EPAの化学物質情報: 2 · Butanedioic acid, 2,3-dihydroxy- (2R,3R)-, dimethyl ester (608-68-4)

化学的性質

化学的特性Colorless to light yellow liqui

安全と法規制

GHS分類

GHS Classification · 4 件

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.

危険有害性情報

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%)

安全データ

wgk: 3
tsca: TSCA listed
hs_code: 29181300
risk_code: 36/37/38
hazard_code: Xi
safety_code: 24/25-36/37-26
ストレージクラス: 11 - Combustible Solids

化学と産業

用途と製造

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

応用分野

用途有機合成原料。

使用(+)-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).