CAS 80-55-7 Ethyl 2-hydroxyisobutyrate (HCID 6653)

名称と識別子

優先名称: Ethyl 2-hydroxyisobutyrate
IUPAC: ethyl 2-hydroxy-2-methylpropanoate
現地名: 2-ヒドロキシイソ酪酸エチル
英語名: Ethyl 2-hydroxyisobutyrate
分子式: C6H12O3
分子量: 132.16

名称と別名

Ethyl 2-hydroxyisobutyrateEthyl 2-hydroxy-2-methylpropanoateEthyl 2-hydroxy-2-methylpropionateEthyl 2-methyllactateEthyl alpha-hydroxyisobutyratePropanoic acid, 2-hydroxy-2-methyl-, ethyl ester2-Methyllactic acid ethyl esterLACTIC ACID, 2-METHYL-, ETHYL ESTER2-Hydroxyisobutyric Acid Ethyl EsterEthyl .alpha.-hydroxyisobutyrateNSC 4667EINECS 201-290-3

名称をさらに表示

2-ヒドロキシイソ酪酸エチル2-ヒドロキシ-2-メチルプロパン酸エチル2-ヒドロキシ-2-メチルプロピオン酸エチル2-メチル-2-ヒドロキシプロピオン酸エチルエチル 2-ヒドロキシ-2-メチルプロパノアートEthyl α-hydroxyisobuEthyl hydroxyisobtyrateEthyl hydroxyisobutyrateEthyl α-hydroxyisobutyraEthyl α-hydroxyisobutyrateEthyl 2-hydroxyisobutanoate

UNII-S1530MCV3XBRN 0878308S1530MCV3XAI3-09122NSC-46672-hydroxy-2-methylpropionic acid ethyl esterDTXSID40738854-03-00-00783 (Beilstein Handbook Reference)

データベース識別子

CAS: 80-55-7
PubChem CID: 6653
DTXSID: DTXSID4073885
UNII: S1530MCV3X
EC Number: 201-290-3
Nikkaji: J132.714C

物性

構造計算による物性

XLogP: 0.4
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: 9
形式電荷: 0
複雑度: 107

物理化学的性質

融点: 78 °C · 78 °C
沸点: 150 °C · 150 °C (lit.)
比重(密度): 0.965 g/mL · 0.965 g/mL at 25 °C (lit.)
屈折率: 20 · n20/D 1.408(lit.)
闪点: 112 °F · 112 °F
貯蔵温度: Flammables area
酸解離定数(Pka): 13.28 · 13.28±0.29(Predicted)
外見: clear liquid
色: Colorless to Almost colorless
BRN: 878308 · 878308
InChI: InChI=1S/C6H12O3/c1-4-9-5(7)6(2,3)8/h8H,4H2,1-3H3
InChIKey: GFUIDHWFLMPAGY-UHFFFAOYSA-N
SMILES: C(OCC)(=O)C(O)(C)C
CAS データベース: 80 · 80-55-7(CAS DataBase Reference)
NISTの化学物質情報: 2 · Propanoic acid, 2-hydroxy-2-methyl-, ethyl ester(80-55-7)
EPAの化学物質情報: 2 · Propanoic acid, 2-hydroxy-2-methyl-, ethyl ester (80-55-7)

化学的性質

化学的特性clear colorless liquid

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]；H315 (87.2%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (95.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (93.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 47 reports by companies from 6 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

Regulatory InformationEthyl 2-methyllactate: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesFlam. Liq. 3 (100%)；Skin Irrit. 2 (87.2%)；Eye Irrit. 2A (95.7%)；STOT SE 3 (93.6%)

安全と保護具

Protective Action Criteria (PAC) · 3 件

12 [mg/m3]

130 [mg/m3]

790 [mg/m3]

法規制情報

Regulatory InformationEthyl 2-methyllactate: Does not have an individual approval but may be used under an appropriate group standard

安全データ

wgk: 3
rtecs: OD5672000
ridadr: UN 3272 3/PG 3
hs_code: 29181980
risk_code: 10-36/37/38-36/38
化審法: (2)-1430
消防法: 危-4-2-III
hazard_code: Xi
safety_code: 26-36-16
hazard_class: 3
packing_group: III
Hazard Classifications: Flam. Liq. 3
ストレージクラス: 3 - Flammable liquids

化学と産業

応用分野 · 2 件

説明Ethyl 2-hydroxyisobutyrate (E-2HIBA) has a wide range of applications in flavor and fragrance ingredients, green solvents, and pharmaceuticals. E-2HIBA has been synthesized by the batch transesterification of methyl 2-hydroxyisobutyrate with ethanol in the presence of titanium tetraethoxide (reaction conditions: 96 h, yield 97 %) and the esterification of 2-HIBA with an acid catalyst. The direct esterification of 2-HIBA with ethanol using an acid catalyst appears to be a commercially viable approach to produce E-2HIBA [1].

使用Solvent for nitrocellulose and cellulose acetate; solvent mixture for cellulose ethers, organic synthesis, pharmaceuticals.

上流・下流製品情報

上流原料

2-アミノ-2-メチル-1-プロピオン酸エチル塩酸塩 2-ヒドロキシイソ酪酸アセトンシアンヒドリンエタノールしゅう酸ジエチル塩酸 2-ブロモイソ酪酸エチルホルマリンヨウ化エチルクロログリオキシル酸エチル

下流製品

過塩素酸10-メチルアクリジニウムトリメタジオンメタクリル酸 α-ヒドロキシイソ酪酸ブチル

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化合物ノート

読み込み中…

2-ヒドロキシイソ酪酸エチル

基本情報