5-メトキシメチルフラン-2-カルボアルデヒド

5-(Methoxymethyl)-2-furaldehyde

HCID 74711CAS 1917-64-2

部分構造検索類似構造を探す

基本情報

標準SMILES: COCc1ccc(C=O)o1
InChIKey: ASHVULSQMDWKFO-UHFFFAOYSA-N
分子式: C7H8O3
平均分子量: 140.14 g/mol
単同位体質量: 140.04734411

名称と識別子

優先名称: 5-(Methoxymethyl)-2-furaldehyde
IUPAC: 5-(methoxymethyl)furan-2-carbaldehyde
現地名: 5-メトキシメチルフラン-2-カルボアルデヒド
英語名: 5-(Methoxymethyl)-2-furaldehyde
分子式: C7H8O3
分子量: 140.14

名称と別名

5-(methoxymethyl)furan-2-carbaldehyde5-(METHOXYMETHYL)-2-FURALDEHYDE5-(Methoxymethyl)-2-furancarboxaldehyde2-Furancarboxaldehyde, 5-(methoxymethyl)-5-methoxymethylfurfural5XBV4H5CX7DTXSID30172704EC 700-511-5RefChem:531367DTXCID3095195700-511-51917-64-2

名称をさらに表示

5-メトキシメチルフラン-2-カルボアルデヒド5-(メトキシメチル)フルフラール5-(メトキシメチル)-2-フルアルデヒドAKOS B001201)furan-2-carbaLART-CHEM-BB B001201Furfural Impurity 355-(Methoxymethyl)furfural5-METHOXYMETHYL-FURAN-2-CARBALDEHYDE2-Furancarboxaldehyde,5-(methoxymethyl)-

5-Methoxymethylfuran-2-carbaldehyde5-Methoxymethyl furfuralMFCD02253954ICCB1_0000905-(Methoxymethyl)furan-2-carboxaldehydeUNII-5XBV4H5CX75-Methoxymethyl-2-furaldehydeSCHEMBL721921

データベース識別子

CAS: 1917-64-2
PubChem CID: 74711
DTXSID: DTXSID30172704
ChEBI: CHEBI:229022
UNII: 5XBV4H5CX7
EC Number: 700-511-5
Nikkaji: J358.089J

物性

構造計算による物性

XLogP: 0
極性表面積: 39.4 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: 3
重原子数: 10
形式電荷: 0
複雑度: 113

物理化学的性質

融点: -8 °C · -8 °C
沸点: 68 · 68-70 °C(Press: 2 Torr)
比重(密度): 1.146 g/cm3 · 1.146 g/cm3(Temp: 17.9 °C)
蒸気圧: 1.8 · 1.8-3.2Pa at 20-25℃
貯蔵温度: 2 · under inert gas (nitrogen or Argon) at 2-8°C
外見: liquid
色: Light yellow to yellow
InChI: InChI=1S/C7H8O3/c1-9-5-7-3-2-6(4-8)10-7/h2-4H,5H2,1H3
InChIKey: ASHVULSQMDWKFO-UHFFFAOYSA-N
SMILES: O1C(COC)=CC=C1C=O
LogP: 0.23 at · 0.23 at 20℃ and pH6.4-6.6
表面張力: 70.8 mN/m · 70.8mN/m at 1g/L and 20℃

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H319 (66.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H410 (66.7%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]；H411 (33.3%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P261, P264, P264+P265, P272, P273, P280, P302+P352, P305+P351+P338, P321, P332+P317, P333+P317, P337+P317, P362+P364, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 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.

危険有害性情報

Regulatory InformationStatus: Active Update: 12-07-2013 https://echa.europa.eu/registration-dossier/-/registered-dossier/10620

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Skin Sens. 1B (100%)；Eye Irrit. 2 (66.7%)；Aquatic Chronic 1 (66.7%)；Aquatic Chronic 2 (33.3%)

法規制情報

Regulatory InformationStatus: Active Update: 12-07-2013 https://echa.europa.eu/registration-dossier/-/registered-dossier/10620

安全データ

hs_code: 2932190090

化学と産業

上流・下流製品情報

下流製品

5-(メトキシメチル)-2-フロ酸

サプライヤー50 社

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

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

杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]

Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

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