3-Pentadecanone

HCID 545972
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Basic information

CAS
18787-66-1
Standard SMILES
CCCCCCCCCCCCC(=O)CC
InChIKey
YELXTWKVTZTDCM-UHFFFAOYSA-N
Molecular formula
C15H30O
Average molar mass
226.4 g/mol
Monoisotopic mass
226.22966558

Names & identifiers

Preferred name
3-Pentadecanone
IUPAC
pentadecan-3-one
English name
DODECYLETHYL KETONE
Molecular formula
C15H30O
Molecular weight
226.4

Names & synonyms

3-Pentadecanonepentadecan-3-oneDodecylethyl ketone18787-66-1DTXSID80338030RefChem:95264DTXCID60289117YELXTWKVTZTDCM-UHFFFAOYSA-N3-pentadeca-noneSCHEMBL4361047SCHEMBL4452914AKOS012716975
Show more names
ETHYL DODECYL KETONE
DB-044654Q63396142

Database identifiers

CAS
18787-66-1
PubChem CID
545972
DTXSID
DTXSID80338030
Nikkaji
J46.045A

Properties

Computed structural properties

XLogP
6.2
Topological polar surface area
17.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
12
Heavy atoms
16

Experimental & physicochemical properties

Kovats Retention Index · 2 items

1668；1675

1955

Physicochemical properties

Melting point
35.25 °C · 35.25°C (estimate)
Boiling point
293.03 °C · 293.03°C (estimate)
Density
0.8184 · 0.8184 (estimate)
refractive index
1.4419 · 1.4419 (estimate)

Chemistry & industry

Suppliers3 total

江苏艾康生物医药研发有限公司025-025-66113011 15955137747 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
成都卡麦尔医药科技有限公司028-67136579 15828051124 · [email protected]

Related reactions

1 records
New reaction record

Compound notes

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