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110477

Sigma-Aldrich

trans-Decahydronaphthalene

99%

Synonym(s):

trans-Decalin™

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About This Item

Empirical Formula (Hill Notation):
C10H18
CAS Number:
493-02-7
Molecular Weight:
138.25
Beilstein:
2036251
EC Number:
207-771-4
MDL number:
MFCD00064191
UNSPSC Code:
12352100
PubChem Substance ID:
24846987
NACRES:
NA.22

vapor density

4.76 (vs air)

Quality Level

100

vapor pressure

42 mmHg ( 92 °C)

Assay

99%

autoignition temp.

482 °F

expl. lim.

0.7-4.9 %, 100 °F

refractive index

n20/D 1.469 (lit.)

bp

185 °C/756 mmHg (lit.)

mp

−32 °C (lit.)

density

0.87 g/mL at 25 °C (lit.)

SMILES string

[H][C@@]12CCCC[C@@]1([H])CCCC2

InChI

1S/C10H18/c1-2-6-10-8-4-3-7-9(10)5-1/h9-10H,1-8H2/t9-,10-

InChI key

NNBZCPXTIHJBJL-MGCOHNPYSA-N

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Application

trans-Decahydronaphthalene has been used to measure absolute photoionization and dissociative photoionization cross-section for photon energies.

Legal Information

Decalin is a trademark of Sigma-Aldrich Co. LLC

Signal Word

Danger

Hazard Statements

H226,H304,H314,H331,H411

Hazard Classifications

Acute Tox. 3 Inhalation - Aquatic Chronic 2 - Asp. Tox. 1 - Eye Dam. 1 - Flam. Liq. 3 - Skin Corr. 1C

Storage Class Code

3 - Flammable liquids

WGK

WGK 3

Flash Point(F)

136.4 °F - closed cup

Flash Point(C)

58 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
00409AY
14221HN

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Hikaru Sotome et al.
Physical chemistry chemical physics : PCCP, 21(17), 8623-8632 (2019-03-01)
Photocyclization reaction dynamics of an inverse type diarylethene derivative was investigated in alkane solutions by means of ultrafast laser spectroscopies. Femtosecond transient absorption spectroscopy showed that the Franck-Condon state formed by photoexcitation is geometrically relaxed to a transient species within
Zhongyue Zhou et al.
Rapid communications in mass spectrometry : RCM, 24(9), 1335-1342 (2010-04-15)
Absolute photoionization and dissociative photoionization cross-sections of eleven n-alkanes (n-pentane, n-hexane, n-heptane, n-nonane, n-decane, n-undecane, n-dodecane, n-tridecane, n-tetradecane, n-pentadecane and n-hexadecane), three cyclo-alkanes (cyclopentane, methylcyclohexane and trans-decahydronaphthalene) and iso-octane were measured for photon energies from the ionization thresholds to 11.5
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)
D Kruk et al.
The Journal of chemical physics, 137(4), 044512-044512 (2012-08-03)
(1)H relaxation dispersion of decalin and glycerol solutions of nitroxide radicals, 4-oxo-TEMPO-d(16)-(15)N and 4-oxo-TEMPO-d(16)-(14)N was measured in the frequency range of 10 kHz-20 MHz (for (1)H) using STELAR Field Cycling spectrometer. The purpose of the studies is to reveal how
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
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