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1,15-Hexadecadiene

HCID 519908
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Basic information

CAS
21964-51-2
Standard SMILES
C=CCCCCCCCCCCCCC=C
InChIKey
JEJVUMPKJVMOEZ-UHFFFAOYSA-N
Molecular formula
C16H30
Average molar mass
222.41 g/mol
Monoisotopic mass
222.23475096

Overview

1,15-Hexadecadiene has been reported in Pittosporum angustifolium and Pittosporum undulatum with data available.

Names & identifiers

Preferred name
1,15-Hexadecadiene
IUPAC
hexadeca-1,15-diene
English name
1,15-HEXADECADIENE
Molecular formula
C16H30
Molecular weight
222.41

Names & synonyms

1,15-Hexadecadiene21964-51-2DTXSID00334190RefChem:1051852DTXCID10285280hexadeca-1,15-dienehexadecadiene-1,15SCHEMBL1805539SCHEMBL11256056JEJVUMPKJVMOEZ-UHFFFAOYSA-NAKOS0242641301,15-HEXADECADIENE ISO 9001:2015 REACH

Database identifiers

CAS
21964-51-2
PubChem CID
519908
DTXSID
DTXSID00334190

Properties

Computed structural propertiesFilling in

XLogP
7.9
Topological polar surface area
0 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
0
Rotatable bonds
13
Heavy atoms
16
Formal charge
0
Complexity
128

Experimental & physicochemical properties

SpringerMaterials PropertiesDensity

Physicochemical properties

Melting point
14 · −14-−12 °C(lit.)
Boiling point
142 · 142-147 °C6 mm Hg(lit.)
Density
0.789 g/mL · 0.789 g/mL at 20 °C(lit.)
refractive index
20 · n20/D 1.447
Flash point
100 °C · 100 °C
Safety Statements
23 · 23-24/25
WGK Germany
3 · 3

Safety & regulation

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

Safety data

wgk
3
safety_code
23-24/25

Chemistry & industry

Upstream & downstream products

Downstream products

16-Bromohexadecanol1,16-HEXADECANEDIOL

Related reactions

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Compound notes

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