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1-Cyclohexylpropan-1-one

HCID 70748
NotesReactions
Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
1123-86-0
Standard SMILES
CCC(=O)C1CCCCC1
InChIKey
AMHOPTNGSNYSBL-UHFFFAOYSA-N
Molecular formula
C9H16O
Average molar mass
140.22 g/mol
Monoisotopic mass
140.12011513

Names & identifiers

Preferred name
1-Cyclohexylpropan-1-one
IUPAC
1-cyclohexylpropan-1-one
English name
Cyclohexyl ethyl ketone
Molecular formula
C9H16O
Molecular weight
140.22

Names & synonyms

1-Cyclohexylpropan-1-one1123-86-0CYCLOHEXYL ETHYL KETONE1-Propanone, 1-cyclohexyl-AI3-39198EINECS 214-380-2DTXSID20149985NSC 39457RefChem:431746DTXCID1072476214-380-2Ethyl cyclohexyl ketone
Show more names
propionylcyclohexane
1-Cyclohexyl-1-propanoneKetone, cyclohexyl ethylMFCD00060814L22JP3KC84NSC-39457Propanoylcyclohexane1-cyclohexyl-propan-1-onecyclohexylpropanone

Database identifiers

CAS
1123-86-0
PubChem CID
70748
DTXSID
DTXSID20149985
UNII
L22JP3KC84
EC Number
214-380-2
Nikkaji
J80.171B

Properties

Computed structural properties

XLogP
2.5
Topological polar surface area
17.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
2
Heavy atoms
10
Formal charge
0
Complexity
112

Experimental & physicochemical properties

SpringerMaterials PropertiesBoiling point

Physicochemical properties

Boiling point
196 °C · 196°C (estimate)
Density
0 · 0,91 g/cm3
refractive index
1.453 · 1.4530
Flash point
74.5 ° · 74.5°
storage temp.
2 · 2-8°C
solubility
Soluble in organic solvents.
form
Liquid
color
Colorless to off-white
FDA UNII
22 JP3KC84 · L22JP3KC84
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
302 · H302-H315-H319-H335
Precautionary statements
261 · P261-P305+P351+P338

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

GHS classification

GHS Classification · 5 items

This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.

Warning

H302 (50%): 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 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (50%)

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H315-H319-H335
Precautionary statements
P261-P305+P351+P338

Chemistry & industry

Applications

UsesCyclohexyl ethyl ketone is used as a intermediate in organic synthesis.

Suppliers29 total

合肥曼奇诺生物医药技术有限公司19719236623 · [email protected]
毕佳索(上海毕得医药科技股份有限公司)400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
天津合信成化工科技有限公司13752273685 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
阿法埃莎(中国)化学有限公司400-6106006 · [email protected]
安耐吉化学&3A(安徽泽升科技股份有限公司)400-0056266 · [email protected]
扬州瑞宏生物科技有限公司0514-015380367604 15380367604 · [email protected]
上海健超生物科技有限公司150-2103-5486 18017383231 · [email protected]
上海圣酮生物医药有限公司15065661979 15065661979 · [email protected]
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]

Related reactions

3 records
New reaction record
HRID 698971 reaction equation
HRID 698971As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID 1567372 reaction equation
HRID 1567372As reactantTraining data from https://doi.org/10.1039/C8SC04228D (1/10)
HRID 2388241 reaction equation
HRID 2388241As reactantuspto-grants-2012_09

Compound notes

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On this pageBasic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
郑州阿尔法化工有限公司
0371-53765687 18937137882 · [email protected]
南通华祥医药科技有限公司+86-15716293042 15716293042 · [email protected]
成都沸柏医药科技有限公司028-84641798 18782128315 · [email protected]
Shanghai Acmec Biochemical Technology Co., Ltd.+86-18621343501 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 15955137747 · [email protected]
上海吉至生化科技有限公司021-4009004166/18616739031 18616739031 · [email protected]
安徽勇晟医药科技有限公司021-50430803 18016036736;18017383231 · [email protected]
爆牛贸易重庆有限公司+86-023-6139-8061 +86-86-13650506873 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
SHANGHAI KEAN TECHNOLOGY CO., LTD.+8613817748580 · [email protected]
广州市禄涞医药科技有限公司13660253774 · [email protected]
上海捷世凯生物科技有限公司021-57520305 13795461237 · [email protected]
上海相辉医药科技有限公司13611835272 13611835272 · [email protected]
上海锐谱医药科技有限公司15895968936 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
上海博拓生物科技有限公司16621358918 · [email protected]