しゅう酸ジブチル

Dibutyl Oxalate

HCID 16306CAS 2050-60-4
部分構造検索類似構造を探す

基本情報

標準SMILES
CCCCOC(=O)C(=O)OCCCC
InChIKey
JKRZOJADNVOXPM-UHFFFAOYSA-N
分子式
C10H18O4
平均分子量
202.25 g/mol
単同位体質量
202.12050905

名称と識別子

優先名称
Dibutyl Oxalate
IUPAC
dibutyl oxalate
現地名
しゅう酸ジブチル
英語名
Dibutyl oxalate
分子式
C10H18O4
分子量
202.25

名称と別名

Dibutyl oxalate2050-60-4Di-n-butyl oxalateButyl oxalateEthanedioic acid, dibutyl esterButyl ethanedioatedibutyl ethanedioateOxalic acid, dibutyl esterEthanedioic acid, 1,2-dibutyl esterDTXSID7041916S18C168OWCNSC 8468
名称をさらに表示
しゅう酸ジブチルエタン二酸ジブチルしゅう酸ブチルしゅう酸ジ-n-ブチルジブチル=オキサラートジブチルオキサレ-トしゅう酸ジ‐N‐ブチルジブチル オキサラートDibutylOxalate>Butyl ethanedioateOxalic acid dibutylDibutyl oxalate,99%Dibutyl oxalate 99%Dibutylethanedionate
NSC-8468EINECS 218-092-8AI3-06011DTXCID5021916Oxalic acid, dibutyl ester (8CI)Dinbutyl oxalateRefChem:586527DIBUTYL OXALATE [INCI]

データベース識別子

CAS
2050-60-4
PubChem CID
16306
DTXSID
DTXSID7041916
ChEMBL
CHEMBL3185643
ChEBI
CHEBI:169625
UNII
S18C168OWC
EC Number
218-092-8
Nikkaji
J47.221B

物性

構造計算による物性

XLogP
2.3
極性表面積
52.6 Ų
水素結合供与体数
0
水素結合受容体数
4
回転可能結合数
9
重原子数
14

実験および物理化学的性質

Boiling Point241.00 °C. @ 760.00 mm Hg
Melting Point-29 °C
Vapor Pressure0.09 [mmHg]
Physical Description · 2 件

Clear colorless liquid with a butyl-like odor; [Acros Organics MSDS]

Liquid

Kovats Retention Index1359；1319；1320；1320；1321；1359；1325

物理化学的性質

融点
29 °C · −29 °C(lit.)
沸点
239 · 239-240 °C(lit.)
比重(密度)
0.986 g/mL · 0.986 g/mL at 25 °C(lit.)
屈折率
20 · n20/D 1.423(lit.)
闪点
228 °F · 228 °F
水溶解度
Practically insoluble in water

化学的性質

化学的特性clear colourless liquid

安全と法規制

GHS分類

GHS Classification · 6 件

Danger

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H318 (100%): 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]

P261, P264, P264+P265, P271, P272, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P333+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 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 InformationChemical: Ethanedioic acid, dibutyl ester
Other Safety InformationIMAP assessments - Ethanedioic acid, dibutyl ester: Environment tier I assessment；IMAP assessments - Oxalate esters (C1-C4): Human health tier II assessment
Hazards SummaryMay cause irritation; [Acros Organics MSDS] See Methyl oxalate and Diethyl oxalate.
Hazard Classes and Categories · 2 件

Skin Irrit. 2 (100%)；Skin Sens. 1 (100%)；Eye Dam. 1 (100%)；STOT SE 3 (100%)

Acute toxicity - category 4；Skin corrosion - category 1B；Specific target organ toxicity (repeated exposure) - category 2

法規制情報

Regulatory InformationChemical: Ethanedioic acid, dibutyl ester

安全データ

wgk
3
tsca
TSCA listed
hs_code
29171190
risk_code
37/38-41-43-20/21
化審法
(2)-3789, (2)-924
消防法
危-4-3-III

化学と産業

薬理情報

Cellular LocationsMembrane

用途と製造

Use ClassificationCosmetics -> Hair conditioning; Plasticiser; Chelating
General Manufacturing InformationEthanedioic acid, 1,2-dibutyl ester: ACTIVE

応用分野

一般的な説明The rate of dibutyl oxalate degradation in ruminal contents from adapted and non-adapted animals was studied.

上流・下流製品情報

下流製品

サプライヤー50 社

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
江西益众化工有限公司15307925109 15350027073 · [email protected]
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

関連反応

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