4-Phenoxybutan-1-ol

HCID 219683

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 1927-71-5
標準SMILES: OCCCCOc1ccccc1
InChIKey: OYQUCYCSSADEIC-UHFFFAOYSA-N
分子式: C10H14O2
平均分子量: 166.22 g/mol
単同位体質量: 166.09937969

名称と識別子

優先名称: 4-Phenoxybutan-1-ol
IUPAC: 4-phenoxybutan-1-ol
英語名: 4-Phenoxybutan-1-ol
分子式: C10H14O2
分子量: 166.22

名称と別名

4-phenoxybutan-1-olDTXSID3094094053051-65-3RefChem:526284DTXCID401369392DTXSID701340804Poly(oxytetramethylene), phenyl etherPoly(oxy-1,4-butanediyl), alpha-phenyl-omega-hydroxy-Poly(oxy-1,4-butanediyl), .alpha.-phenyl-.omega.-hydroxy-817-073-74-PHENOXY-1-BUTANOL1927-71-5

名称をさらに表示

1-Butanol, 4-phenoxy-4-phenoxybutanolMFCD005186293KKS92V46FNSC-1283NSC12834-Phenoxybutyl alcoholUNII-3KKS92V46F

データベース識別子

CAS: 1927-71-5、53051-65-3
PubChem CID: 219683
DTXSID: DTXSID30940940
UNII: 3KKS92V46F
EC Number: 817-073-7
Nikkaji: J954.743F

物性

構造計算による物性

XLogP: 2.3
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: 5
重原子数: 12
形式電荷: 0
複雑度: 98

物理化学的性質

融点: 36 °C · 36 °C
沸点: 162 · 162-164 °C(Press: 12 Torr)
比重(密度): 1.0334 g/cm3 · 1.0334 g/cm3
貯蔵温度: 2 · 2-8°C
酸解離定数(Pka): 15.07 · 15.07±0.10(Predicted)
EPAの化学物質情報: 4 · 4-Phenoxy-1-butanol (1927-71-5)

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory InformationFRI - indicates a polymeric substance containing no free-radical initiator in its Inventory name but is considered to cover the designated polymer made with any free-radical initiator regardless of the amount used.

Hazard Classes and CategoriesAcute Tox. 4 (100%)