CAS
946-30-5 Purity
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946-30-5 Purity
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Cyclohexanone,2-(phenylmethyl)-
CAS
946-33-8
Catalog Number
ACM946338
Category
Other Products
Molecular Weight
188.27
Molecular Formula
C13H16O
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Specification
Synonyms
2-Benzylcyclohexanone, 2-Benzylcyclohexan-1-one, Cyclohexanone, 2-(phenylmethyl)-, 549959_ALDRICH, NSC149930, CID98945, EINECS 213-420-6, LT03382635, 946-33-8
IUPAC Name
2-benzylcyclohexan-1-one
InChI Key
CUYLPYBYCYQGCE-UHFFFAOYSA-N
Boiling Point
103-105ºC0.2 mm Hg(lit.)
Melting Point
28-30ºC
Flash Point
127.5ºC
Density
1.03
Exact Mass
188.12000
Hazard Statements
Xi: Irritant;
H-Bond Acceptor
1
H-Bond Donor
0
Safety Description
S24/25
WGK Germany
3
What is the molecular formula of cyclohexanone, 2-(phenylmethyl)-?
The molecular formula is C13H16O.
What is the molecular weight of cyclohexanone, 2-(phenylmethyl)-?
The molecular weight is 188.26 g/mol.
What is the IUPAC name of cyclohexanone, 2-(phenylmethyl)-?
The IUPAC name is 2-benzylcyclohexan-1-one.
What is the InChI of cyclohexanone, 2-(phenylmethyl)-?
The InChI is InChI=1S/C13H16O/c14-13-9-5-4-8-12(13)10-11-6-2-1-3-7-11/h1-3,6-7,12H,4-5,8-10H2.
What is the InChIKey of cyclohexanone, 2-(phenylmethyl)-?
The InChIKey is CUYLPYBYCYQGCE-UHFFFAOYSA-N.
What is the canonical SMILES of cyclohexanone, 2-(phenylmethyl)-?
The canonical SMILES is C1CCC(=O)C(C1)CC2=CC=CC=C2.
What is the CAS number of cyclohexanone, 2-(phenylmethyl)-?
The CAS number is 946-33-8.
What is the European Community (EC) number of cyclohexanone, 2-(phenylmethyl)-?
The European Community (EC) number is 213-420-6.
What is the DSSTox Substance ID of cyclohexanone, 2-(phenylmethyl)-?
The DSSTox Substance ID is DTXSID501314740.
Is cyclohexanone, 2-(phenylmethyl)- a canonicalized compound?
Yes, it is a canonicalized compound.
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