Basic information
- CAS
5422-88-8- Standard SMILES
O=C(c1ccccc1)C1CCCC1- InChIKey
VYDIMQRLNMMJBW-UHFFFAOYSA-N- Molecular formula
- C12H14O
- Average molar mass
- 174.24 g/mol
- Monoisotopic mass
- 174.10446507
Names & identifiers
- Preferred name
- Cyclopentylphenylmethanone
- IUPAC
- cyclopentyl(phenyl)methanone
- English name
- CYCLOPENTYL PHENYL KETONE
- Molecular formula
- C12H14O
- Molecular weight
- 174.24
Names & synonyms
Cyclopentyl phenyl ketone5422-88-8BenzoylcyclopentaneMethanone, cyclopentylphenyl-cyclopentylphenylmethanoneKetone, cyclopentyl phenylphenyl cyclopentyl ketoneEINECS 226-548-2NSC 10749NSC-107499891K7W47PNSC 401765
Show more names
Glycopyrronium Bromide EP Impurity MTIMTEC-BB SBB007885Glycopyrronium impurity MPenehyclidine Impurity 14Glycopyrrolate Impurity 32
NSC-401765DTXSID0063864GLYCOPYRRONIUM BROMIDE IMPURITY M (EP IMPURITY)GLYCOPYRRONIUM BROMIDE IMPURITY M [EP IMPURITY]RefChem:581105DTXCID5041641226-548-2Cyclopentyl(phenyl)methanone
Database identifiers
- CAS
5422-88-8- PubChem CID
- 79464
- DTXSID
DTXSID0063864- UNII
- 9891K7W47P
- EC Number
- 226-548-2
- Nikkaji
- J151.141F
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 174
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
Physicochemical properties
- Boiling point
- 136 · 136-140°C 16mm
- Density
- 1 · 1,036 g/cm3
- refractive index
- 1.544 · 1.5440
- Flash point
- 110 °C · >110°C
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- Chloroform, Methanol (Slightly)
- form
- Oil
- Specific Gravity
- 1.04 · 1.04
- color
- Pale Yellow
- BRN
- 2045903 · 2045903
- Major Application
- pharmaceutical
- InChI
- InChI=1S/C12H14O/c13-12(11-8-4-5-9-11)10-6-2-1-3-7-10/h1-3,6-7,11H,4-5,8-9H2
- InChIKey
- VYDIMQRLNMMJBW-UHFFFAOYSA-N
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
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- wgk
- WGK 3
- tsca
- TSCA listed
- hs_code
- 2914.39.9000
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 23-24/25
- Storage Class
- 10 - Combustible liquids
- Hazard statements
- H302-H315-H319
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationMethanone, cyclopentylphenyl-: INACTIVE
Applications
DescriptionPhenyl cyclopentyl ketone (Item No. 31036) is an analytical reference standard categorized as a precursor in the synthesis of ketamine (Item Nos. 19389 | 11630). This product is intended for research and forensic applications.
UsesPhenylcyclopentyl ketone is the key intermediate of synthetic hydrochloric acid amyl ethyl quin ether.
UsesCyclopentyl Phenyl Ketone is used in the preparation of ortho-arylated compounds and phenanthrones by palladium-catalyzed chelation-assisted C-H activation of Cyclopentyl Phenyl Ketone.
Suppliers100 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
Baoji Guokang Healthchem co.,ltd+8615604608665 15604608665 · [email protected]
南京望知星医药科技有限公司18569809817 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Syntechem Co.,Ltd[email protected]
Related reactions
1 records
Compound notes
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