ブチロフェノン

Butyrophenone

HCID 10315CAS 495-40-9
部分構造検索類似構造を探す

基本情報

標準SMILES
CCCC(=O)c1ccccc1
InChIKey
FFSAXUULYPJSKH-UHFFFAOYSA-N
分子式
C10H12O
平均分子量
148.2 g/mol
単同位体質量
148.088815

概要

Butyrophenone is synthetic agents containing the phenyl-1-butanone group, most Butyrophenones are neuroleptic (antipsychotic) drugs, such as haloperidol, droperidol, or azaperone, that control schizophrenic symptoms (hallucinations, delusions, dementia). Most antipsychotic agents interfere with neurotransmitter functions, usually blocking dopamine receptors, and induce behavioral, endocrine, motor-kinetic effects. (NCI04)

名称と識別子

優先名称
Butyrophenone
IUPAC
1-phenylbutan-1-one
現地名
ブチロフェノン
英語名
Butyrophenone
分子式
C10H12O
分子量
148.2

名称と別名

BUTYROPHENONE1-phenylbutan-1-onen-Butyrophenone1-Butanone, 1-phenyl-Phenyl propyl ketone1-Phenyl-1-butanonePropyl phenyl ketoneDTXSID3047059UNII-186I11WB5B186I11WB5BNSC 8463NSC-8463
名称をさらに表示
ブチロフェノンn-プロピルフェニルケトン1-フェニル-1-ブタノンフェニルプロピルケトンブチリルベンゼンプロピルフェニルケトン1-フェニルブタン-1-オンN-ブチロフェノンN‐ブチロフェノンn-ブチロフェノン, 99%Butanophenone1-phenyl-1-butanonButerophenoneButhrophenoneButyrylbenzene
EINECS 207-799-7AI3-02062DTXCID1027059nButyrophenone1Phenyl1butanone1Phenylbutan1one1Butanone, 1phenylRefChem:122373

データベース識別子

CAS
495-40-9
PubChem CID
10315
DTXSID
DTXSID3047059
ChEMBL
CHEMBL193524
UNII
186I11WB5B
EC Number
207-799-7
Nikkaji
J43.576G

物性

構造計算による物性

XLogP
2.5
極性表面積
17.1 Ų
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
3
重原子数
11

実験および物理化学的性質

Chemical ClassesOther Classes -> Aromatic Ketones
SpringerMaterials PropertiesChemical shift
FragrancesFragrance Ingredient (Butyrophenone) -> IFRA transparency List
LogP2.66
Flavoring AgentsEU Flavoring substances
Vapor Pressure0.08 [mmHg]

物理化学的性質

融点
11 · 11-13 °C(lit.)
沸点
228 · 228-230 °C(lit.)
比重(密度)
1.021 g/mL · 1.021 g/mL at 25 °C(lit.)
屈折率
20 · n20/D 1.520(lit.)
闪点
192 °F · 192 °F
貯蔵温度
30 °C · Store below +30°C.

化学的性質

化学的特性colourless to yellow liquid

安全と法規制

GHS分類

GHS Classification · 5 件

This chemical does not meet GHS hazard criteria for 67.4% (89 of 132) of all reports.

Danger

H317 (31.8%): May cause an allergic skin reaction [Warning Sensitization, Skin]

P261, P264+P265, P272, P280, P302+P352, P305+P354+P338, P317, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 132 reports by companies from 4 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: 1-Butanone, 1-phenyl-

Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)

1-Butanone, 1-phenyl-: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationIMAP assessments - 1-Butanone, 1-phenyl-: Human health tier I assessment
Hazards SummarySafe when used as a flavoring agent in food; [EFSA] May cause irritation; [Alfa Aesar MSDS]
Hazard Classes and CategoriesSkin Sens. 1 (31.8%)

安全データ

wgk
3
tsca
TSCA listed
hs_code
29143900
risk_code
41-43
化審法
(3)-2673
消防法
危-4-3-III

化学と産業

用途と製造

Use ClassificationFragrance Ingredients
General Manufacturing Information1-Butanone, 1-phenyl-: ACTIVE

応用分野

用途有機合成原料。

使用Butyrophenone is used as intermediates of Liquid Crystals

上流・下流製品情報

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Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]

関連反応

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