オルト酪酸トリエチル

1,1,1-Triethoxybutane

HCID 371779

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 24964-76-9
標準SMILES: CCCC(OCC)(OCC)OCC
InChIKey: KOPMZTKUZCNGFY-UHFFFAOYSA-N
分子式: C10H22O3
平均分子量: 190.28 g/mol
単同位体質量: 190.15689456

名称と識別子

優先名称: 1,1,1-Triethoxybutane
IUPAC: 1,1,1-triethoxybutane
現地名: オルト酪酸トリエチル
英語名: Triethyl orthobutyrate
分子式: C10H22O3
分子量: 190.28

名称と別名

1,1,1-TriethoxybutaneRefChem:409434678-319-5Triethyl Orthobutyrate24964-76-9TriethylorthobutyrateButane, 1,1,1-triethoxy-MFCD00059382NSC646223triethoxybutaneOrtho-n-butyric acid triethyl ester1,1,1-Triethoxy-butane

名称をさらに表示

オルト酪酸トリエチル1,1,1-トリエトキシブタンo-n-酪酸トリエチルオルト酪酸エチルTriethyl butyrateethyl orthobutyrateTriethyl orthobutyraETHYL ORTHO-N-BUTYRATETriethylOrthobutyrate>Butane, 1,1,1-triethoxy-TRIETHYL ORTHO-N-BUTYRATETriethyl orthobutyrate (TEOB)

SCHEMBL1691770CHEMBL2000498Orthobutyric Acid Triethyl EsterSCHEMBL10444956DTXSID90327334ZAA964761,1,1-Triethoxybutane, AldrichCPRAKOS009159014

データベース識別子

CAS: 24964-76-9
PubChem CID: 371779
DTXSID: DTXSID90327334
ChEMBL: CHEMBL2000498
EC Number: 678-319-5
Nikkaji: J208.819C

物性

構造計算による物性

XLogP: 2.3
極性表面積: 27.7 Å²
水素結合供与体数: 0
水素結合受容体数: 3
回転可能結合数: 8
重原子数: 13
形式電荷: 0
複雑度: 97

物理化学的性質

沸点: 63 °C · 63 °C / 10mmHg
比重(密度): 0 · 0,88 g/cm3
屈折率: 1.404 · 1.4040-1.4080
闪点: 58 °C · 58°C
貯蔵温度: 2 · Storage temp. 2-8°C
外見: clear liquid
色: Colorless
InChI: InChI=1S/C10H22O3/c1-5-9-10(11-6-2,12-7-3)13-8-4/h5-9H2,1-4H3
InChIKey: KOPMZTKUZCNGFY-UHFFFAOYSA-N
SMILES: C(OCC)(OCC)(OCC)CCC
CAS データベース: 24964 · 24964-76-9(CAS DataBase Reference)

化学的性質

化学的特性Colorless liquid

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H226 (50%): Flammable liquid and vapor [Warning Flammable liquids]；H227 (50%): Combustible liquid [Warning Flammable liquids]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (50%): 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, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 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.