1,4-ブタンジオールモノメチルエーテル

1-Butanol, 4-methoxy-

HCID 8107CAS 111-32-0

部分構造検索類似構造を探す

基本情報

標準SMILES: COCCCCO
InChIKey: KOVAQMSVARJMPH-UHFFFAOYSA-N
分子式: C5H12O2
平均分子量: 104.15 g/mol
単同位体質量: 104.08372962

名称と識別子

優先名称: 1-Butanol, 4-methoxy-
IUPAC: 4-methoxybutan-1-ol
現地名: 1,4-ブタンジオールモノメチルエーテル
英語名: 4-Methoxy-1-butanol
分子式: C5H12O2
分子量: 104.15

名称と別名

4-Methoxybutan-1-ol111-32-04-METHOXY-1-BUTANOL1-Butanol, 4-methoxy-Dowanol BMATDowanol bm4-Methoxybutyl alcoholDowanal BMATButylene glycol monomethyl etherNSC 245191EINECS 203-858-6BRN 1732309

名称をさらに表示

1,4-ブタンジオールモノメチルエーテル4-メトキシ-1-ブタノールテトラメチレングリコールモノメチルエーテル4-メトキシブタン-1-オール4-methoxy-1-butano4-METHOXYBUTANOL-14-methoxybutylalcohol2-tert-butoxyacetamide

DTXSID50149438RefChem:430890DTXCID9071929203-858-6Butylene glycol methyl ether1,4-Butanediol Monomethyl Ether4-MethoxybutanolMFCD00040437

データベース識別子

CAS: 111-32-0
PubChem CID: 8107
DTXSID: DTXSID50149438
UNII: AH4W8HA8JH
EC Number: 203-858-6
Nikkaji: J49.693F

物性

構造計算による物性

XLogP: 0.1
極性表面積: 29.5 Å²
水素結合供与体数: 1
水素結合受容体数: 2
回転可能結合数: 4
重原子数: 7
形式電荷: 0
複雑度: 29

実験および物理化学的性質

Kovats Retention Index886

物理化学的性質

沸点: 66 °C · 66 °C / 7mmHg
比重(密度): 0.93 · 0.93
屈折率: 1.419 · 1.4190-1.4330
闪点: 73 ° · 73°(163°F)
貯蔵温度: Sealed in dry,Room Temperature
外見: clear liquid
酸解離定数(Pka): 15.08 · 15.08±0.10(Predicted)
色: Colorless to Almost colorless
水溶解度: 水にわずかに溶ける。
CAS データベース: 111 · 111-32-0(CAS DataBase Reference)
NISTの化学物質情報: 1 · 1-Butanol, 4-methoxy-(111-32-0)

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H226 (66.7%): Flammable liquid and vapor [Warning Flammable liquids]；H227 (33.3%): Combustible liquid [Warning Flammable liquids]；H315 (66.7%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (66.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (66.7%): 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 3 reports by companies from 3 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 InformationButylene glycol methyl ether: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesFlam. Liq. 3 (66.7%)；Flam. Liq. 4 (33.3%)；Skin Irrit. 2 (66.7%)；Eye Irrit. 2A (66.7%)；STOT SE 3 (66.7%)

法規制情報

Regulatory InformationButylene glycol methyl ether: Does not have an individual approval but may be used under an appropriate group standard

安全データ

rtecs: EL4550000
ridadr: UN1993
hs_code: 29094990
risk_code: 36/37/38-10
化審法: (7)-97
消防法: 危-4-3-III
hazard_code: F
safety_code: 26-36/37/39-35-3/9/49-15
hazard_class: 3
packing_group: III

化学と産業

応用分野

使用4-Methoxy-1-butanol is used as a chemicals, pharmaceutical intermediates, reagents. 4-Methoxy-1-butanol is used with n-butyl acetate to improve dissolving power, drying time, and flow.