uspto-grants-1998_11 · 10.6084/m9.figshare.5104873.v1 · US05840751
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IDENTITY
结构与身份
- 标准SMILES
- CCCCC(=O)c1ccccc1
- InChIKey
- XKGLSKVNOSHTAD-UHFFFAOYSA-N
- 分子式
- C11H14O
- 平均分子量
- 162.23 g/mol
- 单同位素质量
- 162.10446507
COMPUTED
结构计算性质
- XLogP
- 3
- 极性表面积
- 17.1 Ų
- 氢键供体
- 0
- 氢键受体
- 1
- 可旋转键
- 4
- 重原子
- 12
- 形式电荷
- 0
- 复杂度
- 134
PROPERTIES
实验与物化性质
Boiling Point
245.00 °C. @ 760.00 mm Hg
Melting Point
-9.4 °C
Physical Description
Liquid
Kovats Retention Index
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
GHS
GHS分类
GHS Classification
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.
HAZARDS
危害信息
Regulatory Information
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 Categories
Skin Irrit. 2 (20%)；Eye Irrit. 2A (20%)；STOT SE 3 (20%)
REGULATORY
法规信息
Regulatory Information
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.
PHARMACOLOGY
药理信息
Cellular Locations
Membrane
USES
用途与制造
General Manufacturing Information
1-Pentanone, 1-phenyl-: ACTIVE
ALIASES
名称与别名
Valerophenone1-phenylpentan-1-one1009-14-9Butyl phenyl ketone1-Pentanone, 1-phenyl-PentanophenoneF27Q043NT1NSC-58959DTXSID0061406CHEBI:36812RefChem:193558DTXCID1032563213-767-31-Phenyl-1-pentanoneMFCD000094801-phenyl-pentan-1-onePentanoylbenzeneSB-270466; n-butyl phenyl ketonen-Butyl phenyl ketoneUNII-F27Q043NT1
REACTIONS
参与反应
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