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Merck
CN

110477

trans-Decahydronaphthalene

99%

Synonym(s):

trans-Decalin

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About This Item

Empirical Formula (Hill Notation):
C10H18
CAS Number:
Molecular Weight:
138.25
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
EC Number:
207-771-4
Beilstein/REAXYS Number:
2036251
MDL number:
Assay:
99%
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vapor density

4.76 (vs air)

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

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


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Danger

Hazard Classifications

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

Storage Class

3 - Flammable liquids

flash_point_f

136.4 °F - closed cup

flash_point_c

58 °C - closed cup

ppe

Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter

Regulatory Information

危险化学品

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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
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



Global Trade Item Number

SKUGTIN
110477-10G04061837759871