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Decahydronaphthalene, mixture of cis + trans

Name: Decahydronaphthalene, mixture of <I>cis</I> + <I>trans</I>
Brand: SIGALD

reagent grade, 98%

Synonym(s):

Decalin^™

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About This Item

Empirical Formula (Hill Notation):

C₁₀H₁₈

CAS Number:

91-17-8

Molecular Weight:

138.25

UNSPSC Code:

12352001

NACRES:

NA.21

PubChem Substance ID:

329798742

EC Number:

202-046-9

Beilstein/REAXYS Number:

878165

MDL number:

MFCD00004130

Assay:

98%

Grade:

reagent grade

Bp:

189-191 °C (lit.)

Vapor pressure:

42 mmHg ( 92 °C), 741 mmHg ( 188 °C)

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Properties

grade

reagent grade

Quality Level

100

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

Description

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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This Item	07-0050	294772	07-0055
Sigma-Aldrich D251 Decahydronaphthalene, mixture of cis + trans	Sigma-Aldrich 07-0050 Decahydronaphthalene, mixture of cis + trans	Sigma-Aldrich 294772 Decahydronaphthalene, mixture of cis + trans	Sigma-Aldrich 07-0055 Decahydronaphthalene, mixture of cis + trans
Quality Level 100	Quality Level -	Quality Level 100	Quality Level -
grade reagent grade	grade SAJ special grade	grade anhydrous	grade SAJ first grade
assay 98%	assay ≥99.0%	assay ≥99%	assay ≥98.0%
form liquid	form liquid	form liquid	form liquid
refractive index n20/D 1.474 (lit.)	refractive index n20/D 1.474 (lit.)	refractive index n20/D 1.474 (lit.)	refractive index n20/D 1.474 (lit.)
vapor density 4.76 (vs air)	vapor density 4.76 (vs air)	vapor density 4.76 (vs air)	vapor density 4.76 (vs air)

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pictograms

GHS02,GHS06,GHS08,GHS05,GHS09

signalword

Danger

hcodes

H226,H304,H314,H331,H410

pcodes

P210 - P280 - P301 + P330 + P331 - P303 + P361 + P353 - P304 + P340 + P310 - P305 + P351 + P338

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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Immunosuppressive decalin derivatives from red yeast rice.

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)

Update of the cholesterol force field parameters in CHARMM.

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

Electronic absorption spectroscopy of polycyclic aromatic hydrocarbons (PAHs) radical cations generated in oleum: a superacid medium.

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

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Global Trade Item Number

SKU	GTIN
D251-4L	04061833562291
D251-18L-CS	04061837717093
D251-500ML	04061833562307
D251-1L	04061837227080

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