Decalin

CAT: 0203-10606-25Size: 500 mLDry Ice: NoHazardous: Yes

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CAT#:0203-10606-25Size:500 mL

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CAS Number

91-17-8

UN Code

1147

Purity

≧ 98.0% (GC)

Storage Conditions

Room Temperature

Grade

GR (Guaranteed Reagent)

Chemical Information

Decalin

Decalin is an ortho-fused bicyclic hydrocarbon that is the decahydro- derivative of naphthalene. It has a role as a solvent.

CAS Number	91-17-8
PubChem CID	7044
IUPAC Name	1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
Molecular Formula	C10H18
Molecular Weight	138.25
XLogP	4.6
Topological Polar Surface Area	0
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	0
Heavy Atom Count	10
Formal Charge	0
Complexity	80

SMILES

C1CCC2CCCCC2C1

InChI

InChI=1S/C10H18/c1-2-6-10-8-4-3-7-9(10)5-1/h9-10H,1-8H2

InChIKey

NNBZCPXTIHJBJL-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 91-17-8

CID: 7044

Formula: C10H18

MW: 138.25

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	138.25
XLogP3	4.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	0
Exact Mass	138.140850574
Monoisotopic Mass	138.140850574
Topological Polar Surface Area	0 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	80.6
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
T31292	Decalin
93100500	Decalin 98% For Synthesis
T31293-01	Decalin-1,4-dione
54665-01	Decalin (Decahydronaphthalene) pure, 98%
sc-301650	[ (R, R) -1,5-Diaza-cis-decalin]copper hydroxide iodide