D251
Decahydronaphthalene, mixture of cis + trans
reagent grade, 98%
Synonym(s):
Decalin™
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About This Item
Empirical Formula (Hill Notation):
C10H18
CAS Number:
Molecular Weight:
138.25
UNSPSC Code:
12352001
NACRES:
NA.21
PubChem Substance ID:
EC Number:
202-046-9
Beilstein/REAXYS Number:
878165
MDL number:
Assay:
98%
Grade:
reagent grade
Bp:
189-191 °C (lit.)
Vapor pressure:
42 mmHg ( 92 °C), 741 mmHg ( 188 °C)
grade
reagent grade
Quality Level
vapor density
4.76 (vs air)
vapor pressure
42 mmHg ( 92 °C), 741 mmHg ( 188 °C)
assay
98%
form
liquid
autoignition temp.
482 °F
expl. lim.
0.7-4.9 %, 100 °F
dilution
(for analytical testing)
refractive index
n20/D 1.474 (lit.)
bp
189-191 °C (lit.)
mp
−125 °C (lit.)
density
0.896 g/mL at 25 °C (lit.)
SMILES string
C1CCC2CCCCC2C1
InChI
1S/C10H18/c1-2-6-10-8-4-3-7-9(10)5-1/h9-10H,1-8H2
InChI key
NNBZCPXTIHJBJL-UHFFFAOYSA-N
General description
Decahydronaphthalene, mixture of cis + trans is a bicyclic organic compound that can be used as an industrial solvent. It can be prepared by the complete catalytic hydrogenation of naphthalene or tetralin.
Application
Decahydronaphthalene, mixture of cis+ trans can be used as a solvent in the:
- Distannoxane-catalyzed synthesis of aliphatic polyesters via polycondensation.
- Intramolecular carbonyl-ene cyclocondensation of oxygenated o-phenylallylbenzaldehydes to synthesize substituted naphthalenes.
Legal Information
Decalin is a trademark of Sigma-Aldrich Co. LLC
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signalword
Danger
hcodes
Hazard Classifications
Acute Tox. 3 Inhalation - Aquatic Acute 1 - Aquatic Chronic 1 - Asp. Tox. 1 - Eye Dam. 1 - Flam. Liq. 3 - Skin Corr. 1C
Storage Class
3 - Flammable liquids
wgk
WGK 3
flash_point_f
134.6 °F - closed cup
flash_point_c
57 °C - closed cup
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Lin Zhu et al.
Journal of natural products, 75(4), 567-571 (2012-03-08)
Five new decalin derivatives (1-5), together with two known compounds (6 and 7), were isolated from the ethyl acetate extract of red yeast rice. Their structures were elucidated by means of NMR and mass spectroscopic analyses. Monascusic lactone A (1)
Joseph B Lim et al.
The journal of physical chemistry. B, 116(1), 203-210 (2011-12-06)
A modification of the CHARMM36 lipid force field (C36) for cholesterol, henceforth, called C36c, is reported. A fused ring compound, decalin, was used to model the steroid section of cholesterol. For decalin, C36 inaccurately predicts the heat of vaporization (~10
Franco Cataldo et al.
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 77(5), 998-1004 (2010-09-25)
Oleum (fuming sulphuric acid), a well known superacid, was used as medium for the generation of the radical cation of a series of selected PAHs. The resulting radical cation spectra were studied by electronic absorption spectroscopy. Not only common PAHs