D-乳酸エチル

ethyl (2R)-2-hydroxypropanoate

HCID 637513

ノート反応

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基本情報

CAS: 7699-00-5
標準SMILES: CCOC(=O)[C@@H](C)O
InChIKey: LZCLXQDLBQLTDK-SCSAIBSYSA-N
分子式: C5H10O3
平均分子量: 118.13 g/mol
単同位体質量: 118.06299418

名称と識別子

優先名称: ethyl (2R)-2-hydroxypropanoate
IUPAC: ethyl (2R)-2-hydroxypropanoate
現地名: D-乳酸エチル
英語名: (+)-Ethyl D-lactate
分子式: C5H10O3
分子量: 118.13

名称と別名

ethyl (2R)-2-hydroxypropanoateRefChem:593006628-439-97699-00-5(R)-Ethyl 2-hydroxypropanoateethyl d-lactate(+)-Ethyl D-lactateD-ETHYL LACTATEMFCD00077825ethyl (2R)-lactate(+)-Ethyl 2-Hydroxypropanoateethyl (2R)-2-oxidanylpropanoate

名称をさらに表示

[R,(+)]-2-ヒドロキシプロピオン酸エチル(+)-D-乳酸エチルD-乳酸エチル(2R)-2-ヒドロキシプロピオン酸エチル(R)-2-ヒドロキシプロピオン酸エチル(R)-2-ヒドロキシプロパン酸エチルD-乳酸(+)-エチルD-(+)-乳酸エチルエチル (2R)-2-ヒドロキシプロパノアートEthyl (R)-2-hydroxypropanoate(+)-EthyLD-Lactic acid ethylethyl dextro-lactate

(R)-2-hydroxy-propionic acid ethyl esterethyl-d-lactate(r)-ethyl lactatePropanoic acid, 2-hydroxy-, ethyl ester, (2R)-(R)-(+)-Lactic Acid Ethyl Ester(2R)-2-Hydroxypropionic acid ethyl ester(R)-(+)-ethyl lactateethyl (R)-(+)-lactate

データベース識別子

CAS: 7699-00-5
PubChem CID: 637513
DTXSID: DTXSID50348444
ChEBI: CHEBI:78323
EC Number: 628-439-9
Nikkaji: J70.574H

物性

構造計算による物性

XLogP: 0.2
極性表面積: 46.5 Å²
水素結合供与体数: 1
水素結合受容体数: 3
回転可能結合数: 3
重原子数: 8
形式電荷: 0
複雑度: 79

物理化学的性質

沸点: 150 · 150-153 °C
比重(密度): 1.0345 g/cm3 · 1.0345 g/cm3(Temp: 23 °C)
屈折率: 20 · n20/D 1.413
闪点: 46 °C · 46 °C
貯蔵温度: 2 · under inert gas (nitrogen or Argon) at 2-8°C
溶解性: Chloroform (Sparingly), Methanol (Slightly)
外見: liquid
酸解離定数(Pka): 13.21 · 13.21±0.20(Predicted)
色: Colourless
BRN: 1720840 · 1720840
InChI: InChI=1S/C5H10O3/c1-3-8-5(7)4(2)6/h4,6H,3H2,1-2H3/t4-/m1/s1
InChIKey: LZCLXQDLBQLTDK-SCSAIBSYSA-N
SMILES: C(OCC)(=O)[C@H](O)C
LogP: -0.188 · -0.188 (est)

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]；H318 (97.7%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H335 (100%): 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+P354+P338, P317, P319, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 43 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

危険有害性情報

Hazard Classes and CategoriesFlam. Liq. 3 (100%)；Eye Dam. 1 (97.7%)；STOT SE 3 (100%)

安全データ

F: 3
wgk: 3
ridadr: UN 1192 3/PG 3
hs_code: 2918199890
risk_code: 10-37-41
hazard_code: Xi
safety_code: 24-26-39
hazard_class: 3.2
packing_group: III
Hazard Classifications: Eye Dam. 1Flam. Liq. 3STOT SE 3
ストレージクラス: 3 - Flammable liquids

化学と産業

上流・下流製品情報

下流製品

L-(-)-乳酸エチル

サプライヤー100 社

衢州润东化工有限公司0570-8789886 18892685668 · [email protected]

上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]

湖北万得化工有限公司15377098680 15377098680 · [email protected]

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

武汉欣扬瑞和化学科技有限公司13720274133 · [email protected]

補足説明 · 1 件

定義ChEBI: (+)-Ethyl D-lactate is the ethyl ester obtained of 2-hydroxypropanoic acid. It has a role as a metabolite. (+)-Ethyl D-lactate is a secondary alcohol, a lactate ester and an ethyl ester. It is functionally related to a 2-hydroxypropanoic acid.