Butyl phenyl ether (HCID 14311)

名称と識別子

優先名称: Butyl phenyl ether
IUPAC: butoxybenzene
現地名: ブチルフェニルエーテル
英語名: Butoxybenzene
分子式: C10H14O
分子量: 150.22

名称と別名

Butoxybenzene1126-79-0BUTYL PHENYL ETHERn-Butyl phenyl etherBenzene, butoxy-n-ButoxybenzeneButoxyphenyl1-PhenoxybutaneNSC 8467EINECS 214-426-1BRN 1635559BUTYLOXYBENZENE

名称をさらに表示

ブチルフェニルエーテルN-ブチルフェニルエーテルブトキシベンゼンN‐ブチルフェニルエーテルフェニルブチルエーテルn-ブトキシベンゼンbutoxy-benzenbutyl phenolate

phenyl n-butyl etherUNII-H804A5426KAI3-00446NSC-8467H804A5426KN-BUTYL-PHENYL-ETHERDTXSID00221494-06-00-00558 (Beilstein Handbook Reference)

データベース識別子

CAS: 1126-79-0
PubChem CID: 14311
DTXSID: DTXSID0022149
UNII: H804A5426K
EC Number: 214-426-1
Nikkaji: J43.445K

物性

構造計算による物性

XLogP: 3.5
極性表面積: 9.2 Å²
水素結合供与体数: 0
水素結合受容体数: 1
回転可能結合数: 4
重原子数: 11
形式電荷: 0
複雑度: 84.9

実験および物理化学的性質

SpringerMaterials PropertiesBoiling point

Physical DescriptionLiquid

物理化学的性質

融点: 19 °C · −19 °C(lit.)
沸点: 210.3 °C · 210.3 °C(lit.)
比重(密度): 0.935 g/mL · 0.935 g/mL at 25 °C(lit.)
蒸気圧: 84 Pa · 84Pa at 25℃
屈折率: 20 · n20/D 1.497(lit.)
闪点: 180 °F · 180 °F
貯蔵温度: Store at room temperature
外見: clear liquid
色: Colorless to Light yellow
比重: 0.935 · 0.935
臭い (Odor): 10 %。アニス甘草 · ジプロピレングリコール中10.00%。アニス甘草
においのタイプ: 甘草
水溶解度: 36.6 mg/L · 36.6mg/L at 20℃
BRN: 1635559 · 1635559
Dielectric constant: 3.73 · 3.73
InChI: 1S/C10H14O/c1-2-3-9-11-10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3
InChIKey: YFNONBGXNFCTMM-UHFFFAOYSA-N
SMILES: CCCCOc1ccccc1
LogP: 4.26 at · 4.26 at 30℃
CAS データベース: 1126 · 1126-79-0(CAS DataBase Reference)
NISTの化学物質情報: Butoxybenzene(1126-79-0)
EPAの化学物質情報: Benzene, butoxy- (1126-79-0)

化学的性質

化学的特性CLEAR COLOURLESS LIQUID

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H315 (16.7%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory Information · 3 件

Chemical: Benzene, butoxy-

Benzene, butoxy- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzene, butoxy- 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)

REACH registered substance: N-butyl phenyl ether (EC: 214-426-1)

Peroxide Forming Chemical · 3 件

n-Butyl phenyl ether

D: Other compounds that may form peroxides

Kelly

Hazard Classes and CategoriesSkin Irrit. 2 (16.7%)

安全データ

wgk: 2
tsca: TSCA listed
rtecs: KN5300000
ridadr: UN3082 - class 9 - PG 3 - DOT NA1993 - Environmentally hazardous substances, liquid, n.o.s. HI: all (not BR)
毒性: mouse,LD50,oral,3200mg/kg (3200mg/kg),BEHAVIORAL: TREMORBEHAVIORAL: EXCITEMENTBEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD,Journal of Pharmacology and Experimental Therapeutics. Vol. 88, Pg. 400, 1946.
hs_code: 29093090
risk_code: 51/53
消防法: 危-4-3-III
hazard_code: N
safety_code: 24/25-61
hazard_class: 9
Hazard Classifications: Eye Irrit. 2
ストレージクラス: 10 - Combustible liquids

化学と産業

用途と製造

U.S. Production2023: 50,000 - <250,000 lb

Industry UsesFuel agents

General Manufacturing Information · 2 件

All other Petroleum and Coal Products Manufacturing

Benzene, butoxy-: ACTIVE

応用分野

使用Butyl phenyl ether was used as model compound to study the transformation of human pharmaceuticals detected in water during chlorine disinfection. It was used in the synthesis of amino acids with aryl-keto function in their side-chains.

調製方法 · 1 件

純化方法Dissolve it in diethyl ether, washed first with 10% aqueous NaOH to remove traces of phenol, then repeatedly with distilled water, followed by evaporation of the solvent and distillation under reduced pressure [Arnett & Wu J Am Chem Soc 82 5660 1960]. [Beilstein 6 H 143, 6 I 82, 6 II 145, 6 III 550, 6 IV 558.]