基本情報
- 標準SMILES
CCCCOCOCCCC- InChIKey
QLCJOAMJPCOIDI-UHFFFAOYSA-N- 分子式
- C9H20O2
- 平均分子量
- 160.25 g/mol
- 単同位体質量
- 160.14632988
名称と識別子
- 優先名称
- Dibutoxymethane
- IUPAC
- 1-(butoxymethoxy)butane
- 現地名
- ジブトキシメタン
- 英語名
- Dibutoxymethane
- 分子式
- C9H20O2
- 分子量
- 160.25
名称と別名
名称をさらに表示
データベース識別子
- CAS
2568-90-3- PubChem CID
- 17379
- DTXSID
DTXSID3062528- UNII
- V5WWR58LDU
- EC Number
- 219-909-0
- Nikkaji
- J112.977E
物性
構造計算による物性
- XLogP
- 3.2
- 極性表面積
- 18.5 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 2
- 回転可能結合数
- 8
- 重原子数
- 11
- 形式電荷
- 0
- 複雑度
- 56.6
実験および物理化学的性質
物理化学的性質
- 融点
- -58.1 °C · -58.1°C
- 沸点
- 180 °C · 180°C
- 比重(密度)
- 0 · 0,84 g/cm3
- 蒸気圧
- 1 · 1-1.11hPa at 22.7-25℃
- 屈折率
- 20 · n20/D1.406
- 闪点
- 60 °C · 60°C
- 外見
- clear liquid
- 色
- Colorless to Almost colorless
- 水溶解度
- 222.5 · 222.5-250mg/L at 20℃
- 化粧品成分の機能
- 界面活性剤 - 乳化剤クレンジング溶媒
- InChI
- 1S/C9H20O2/c1-3-5-7-10-9-11-8-6-4-2/h3-9H2,1-2H3
- InChIKey
- QLCJOAMJPCOIDI-UHFFFAOYSA-N
- SMILES
- CCCCOCOCCCC
- LogP
- 2.77 · 2.77-4.1 at 20-21.5℃
- EPAの化学物質情報
- 1 · Butane, 1,1'-[methylenebis(oxy)]bis- (2568-90-3)
安全と法規制
GHS分類
GHS Classification
This chemical does not meet GHS hazard criteria for 0.7% (1 of 143) of reports.
Warning
H226 (99.3%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P264, P273, P280, P302+P352, P303+P361+P353, P321, P332+P317, P362+P364, P370+P378, P403+P235, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 143 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Regulatory Information
Chemical: Butane, 1,1'-[methylenebis(oxy)]bis-
Butane, 1,1'-[methylenebis(oxy)]bis- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Butane, 1,1'-[methylenebis(oxy)]bis- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Status: Active Update: 17-03-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/11620
Butylal: Does not have an individual approval but may be used under an appropriate group standard
安全データ
- wgk
- 1
- tsca
- TSCA listed
- ridadr
- 3271
- hs_code
- 2911.00.5000
- risk_code
- 36/37/38
- 消防法
- 危-4-2-III
- safety_code
- 26-36/37/39
- hazard_class
- 3
- packing_group
- III
- ストレージクラス
- 10 - Combustible liquids
化学と産業
用途と製造
応用分野
使用Formaldehyde dibutyl acetal is a halogen-free and less toxic solvent that can be used to solubilize commercial low-density polyethylene (LDPE) samples to analyze molecular weight distribution using gel permeation chromatography (GPC). It can also be used as a reactant to prepare butoxymethyltriphenylphosphonium iodide, which is used for carbon homologation and also as a useful key intermediate in organic synthesis.
一般的な説明Formaldehyde dibutyl acetal is an acetal used in the manufacture of synthetic resins, antiseptics, deodorants, and fungicides. It is also used as a fuel additive to increase the octane number of gasoline or the n-cetane number of diesel fuels and reduce smoke and particulate emissions.
調製方法
製造方法A flask containing 15 gm (0.5 mole) of paraformaldehyde, 74 gm (1.0 mole) of η-butyl alcohol, and 2.0 gm of anhydrous ferric chloride is refluxed for 10 hr. The lower layer of 3-4 ml of material is discarded and then 50 ml of 10% aqueous sodium carbonate solution is added to remove the ferric chloride as ferric hydroxide. The product is shaken with a mixture of 40 ml of 20% hydrogen peroxide and 5 ml of 10% sodium carbonate solution at 45°C in order to remove any remaining aldehyde. The product is also washed with water, dried, and distilled from excess sodium metal to afford 62 gm (78%).
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