バレロフェノン

Valerophenone

HCID 66093

基本情報

CAS
1009-14-9
標準SMILES
CCCCC(=O)c1ccccc1
InChIKey
XKGLSKVNOSHTAD-UHFFFAOYSA-N
分子式
C11H14O
平均分子量
162.23 g/mol
単同位体質量
162.10446507

名称と識別子

優先名称
Valerophenone
IUPAC
1-phenylpentan-1-one
現地名
バレロフェノン
英語名
Valerophenone
分子式
C11H14O
分子量
162.23

名称と別名

Valerophenone1-phenylpentan-1-one1009-14-9Butyl phenyl ketone1-Pentanone, 1-phenyl-PentanophenoneF27Q043NT1NSC-58959DTXSID0061406CHEBI:36812RefChem:193558DTXCID1032563
名称をさらに表示
バレロフェノン1-フェニル-1-ペンタノンペンタノフェノンペンタノイルベンゼンブチルフェニルケトン1-フェニルペンタン-1-オンMethylpropiophenonearomatic ketonen-ValerophenoneValerophenone 99%NSC 58959Valerophenone 99%erophenone
213-767-31-Phenyl-1-pentanoneMFCD000094801-phenyl-pentan-1-onePentanoylbenzeneSB-270466; n-butyl phenyl ketonen-Butyl phenyl ketoneUNII-F27Q043NT1

データベース識別子

CAS
1009-14-9
PubChem CID
66093
DTXSID
DTXSID0061406
ChEMBL
CHEMBL372105
ChEBI
CHEBI:36812
UNII
F27Q043NT1
EC Number
213-767-3
Nikkaji
J30.878A

物性

構造計算による物性

XLogP
3
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
4
重原子数
12

実験および物理化学的性質

Boiling Point245.00 °C. @ 760.00 mm Hg
Melting Point-9.4 °C
Physical DescriptionLiquid
Kovats Retention Index · 2 件

1327

1359.5;1355.6;1365.7;1366.2;1372.6;1373.2;1378.7;1372;1374;1374;1374;1374;1375;1375;1375;1376;1376;1378;1380;1364

物理化学的性質

融点
-9 °C · -9 °C
沸点
244 · 244-245 °C (lit.)
比重(密度)
0.975 g/mL · 0.975 g/mL at 20 °C (lit.)
屈折率
20 · n20/D 1.5143(lit.)
闪点
217 °F · 217 °F
貯蔵温度
Sealed in dry,Room Temperature

化学的性質

化学的特性Valerophenone is a colorless to Light yellow to Light orange clear liquid that is soluble in organic solvents.

安全と法規制

GHS分類

GHS Classification · 6 件

This chemical does not meet GHS hazard criteria for 80% (4 of 5) of all reports.

Warning

H315 (20%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (20%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (20%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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

Aggregated GHS information provided per 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 4 of 5 reports by companies.;There is 1 notification provided by 1 of 5 reports by companies with hazard statement code(s).;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 Information · 2 件

Status: Active Update: 20-09-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/32687

1-Pentanone, 1-phenyl-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazard Classes and CategoriesSkin Irrit. 2 (20%);Eye Irrit. 2A (20%);STOT SE 3 (20%)

法規制情報

Regulatory Information · 2 件

Status: Active Update: 20-09-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/32687

1-Pentanone, 1-phenyl-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

安全データ

wgk
3
tsca
TSCA listed
hs_code
29143990
risk_code
36/37/38
消防法
危-4-3-III
hazard_code
Xi

化学と産業

薬理情報

Cellular LocationsMembrane

用途と製造

General Manufacturing Information1-Pentanone, 1-phenyl-: ACTIVE

応用分野

用途有機合成原料。

使用Valerophenone is an aromatic ketone that is often used as a tool in the study of various photochemical processes. It is used as intermediates of liquid crystals. It is also an inhibitor of the enzyme carbonyl reductase.

サプライヤー100 社

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Hong Kong Tiansheng New Material Trading Co., Ltd+8617320695765 · [email protected]

補足説明

定義ChEBI: Valerophenone is an aromatic ketone that consists of benzene substituted by a pentanoyl group. It has a role as a volatile oil component and a plant metabolite.

関連反応

6 件

化合物ノート

読み込み中…