Cyclohexyl benzoate

HCID 75486
NotesReactions
Substructure searchFind similar structures

Basic information

CAS
2412-73-9
Standard SMILES
O=C(OC1CCCCC1)c1ccccc1
InChIKey
DQZKGSRJOUYVPL-UHFFFAOYSA-N
Molecular formula
C13H16O2
Average molar mass
204.26 g/mol
Monoisotopic mass
204.11502975

Names & identifiers

Preferred name
Cyclohexyl benzoate
IUPAC
cyclohexyl benzoate
English name
cyclohexyl benzoate
Molecular formula
C13H16O2
Molecular weight
204.26

Names & synonyms

Cyclohexyl benzoate2412-73-9Benzoic acid, cyclohexyl esterD78VJ3UF7PHexahydrophenyl benzoateEINECS 219-319-3AI3-02126DTXSID90178843RefChem:129673DTXCID50101334219-319-37464-48-4
Show more names
benzenemacetic acidcyclohexyl ester
DQZKGSRJOUYVPL-UHFFFAOYSA-Nbenzoic acid cyclohexyl esterMFCD00234842cyclohexylbenzoate4-benzoyloxy-cyclohexaneUNII-D78VJ3UF7PSCHEMBL60478SCHEMBL1267583

Database identifiers

CAS
2412-73-9
PubChem CID
75486
DTXSID
DTXSID90178843
UNII
D78VJ3UF7P
EC Number
219-319-3
Nikkaji
J121.623F

Properties

Computed structural properties

XLogP
3.6
Topological polar surface area
26.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
3
Heavy atoms
15

Experimental & physicochemical properties

SpringerMaterials PropertiesChemical structure

Physicochemical properties

Melting point
-10 °C · <-10 °C
Boiling point
285 °C · 285°C (estimate)
Density
1.0429 · 1.0429
refractive index
1.52 · 1.5200 (estimate)
storage temp.
2 · 2-8°C
Odor
100 % · at 100.00 %. mild balsamic floral herbal

Chemistry & industry

Upstream & downstream products

Downstream products

Suppliers21 total

陕西格列弗生物科技研究有限责任公司13892423764 · [email protected]
郑州汇聚化工有限公司13393710386 · [email protected]
湖北科乐精细化工有限公司027-59101668 19945030958 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
武汉丰泰威远科技有限公司+86-27-8746-5837 +86-18627785180 · [email protected]

Related reactions

1 records
New reaction record

Compound notes

Loading…