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1,1,6-Trimethyl-1,2-dihydronaphthalene
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Name

1,1,6-Trimethyl-1,2-dihydronaphthalene

 EINECS 250-150-8
CAS No. 30364-38-6 Density 0.935 g/cm3
PSA 0.00000 LogP 3.68950
Solubility N/A Melting Point N/A
Formula C13H16 Boiling Point 242.2 °C at 760 mmHg
Molecular Weight 172.27 Flash Point 94.8 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 30364-38-6 (1,1,6-Trimethyl-1,2-dihydronaphthalene) Hazard Symbols N/A
Synonyms

Naphthalene,1,2-dihydro-1,1,6-trimethyl-;1,2-Dihydro-1,1,6-trimethylnaphthalene;Dehydro-ar-ionene;

Article Data 9

1,1,6-Trimethyl-1,2-dihydronaphthalene Synthetic route

475-03-6

1,2,3,4-tetrahydro-1,1,6-trimethylnaphthalene

30364-38-6

1,2-dihydro-1,1,6-trimethyl-naphthalene

Conditions
ConditionsYield
With tetrachloromethane; N-Bromosuccinimide; dibenzoyl peroxide
With N-Bromosuccinimide; dibenzoyl peroxide In tetrachloromethane
With N-Bromosuccinimide; N,N-diethylaniline; dibenzoyl peroxide
79-77-6

(E)-β-ionone

A

30364-38-6

1,2-dihydro-1,1,6-trimethyl-naphthalene

B

58720-40-4

4-(2,3,6-trimethyl-phenyl)-butan-2-one

Conditions
ConditionsYield
With tetrachloromethane; N-Bromosuccinimide Erhitzen des Reaktionsprodukts mit ueberschuessigem N.N-Diaethyl-anilin auf Temperaturen oberhalb 100grad;
36340-49-5

5,6-epoxy-trans-β-ionone

30364-38-6

1,2-dihydro-1,1,6-trimethyl-naphthalene

Conditions
ConditionsYield
With formic acid
127-41-3, 6901-97-9, 14398-36-8, 24190-29-2, 30685-95-1, 31798-12-6, 52340-45-1, 67529-94-6, 67529-95-7

alpha-ionone

30364-38-6

1,2-dihydro-1,1,6-trimethyl-naphthalene

Conditions
ConditionsYield
With N-Bromosuccinimide; Perbenzoic acid; N,N-diethylaniline 1.) CCl4, 70 deg C, 15 min, 2.) 120 deg C; Yield given. Multistep reaction;
1.1.3-trimethyl-2-<3-oxo-buten-(1)-yl>-cyclohexene-(2)

1.1.3-trimethyl-2-<3-oxo-buten-(1)-yl>-cyclohexene-(2)

A

30364-38-6

1,2-dihydro-1,1,6-trimethyl-naphthalene

B

1.2.4-trimethyl-3-<3-oxo-butyl>-benzene

1.2.4-trimethyl-3-<3-oxo-butyl>-benzene

Conditions
ConditionsYield
With tetrachloromethane; N-Bromosuccinimide Kochen des Reaktionsprodukts mit N.N-Diaethyl-anilin;
56-23-5

tetrachloromethane

128-08-5

N-Bromosuccinimide

79-77-6

(E)-β-ionone

A

30364-38-6

1,2-dihydro-1,1,6-trimethyl-naphthalene

B

1-<2.3.6-trimethyl-phenyl>-butanone-(3)

1-<2.3.6-trimethyl-phenyl>-butanone-(3)

Conditions
ConditionsYield
Erhitzen des Reaktionsprodukts mit ueberschuessigem N.N-Diaethyl-anilin auf Temperaturen bei >100grad;
56-23-5

tetrachloromethane

128-08-5

N-Bromosuccinimide

127-41-3, 6901-97-9, 14398-36-8, 24190-29-2, 30685-95-1, 31798-12-6, 52340-45-1, 67529-94-6, 67529-95-7

alpha-ionone

A

30364-38-6

1,2-dihydro-1,1,6-trimethyl-naphthalene

B

1-<2.3.6-trimethyl-phenyl>-butanone-(3)

1-<2.3.6-trimethyl-phenyl>-butanone-(3)

Conditions
ConditionsYield
Erhitzen des Reaktionsprodukts mit ueberschuessigem N.N-Diaethyl-anilin auf Temperaturen oberhalb 100grad;
24190-29-2

(R)-α-ionone

30364-38-6

1,2-dihydro-1,1,6-trimethyl-naphthalene

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: iodine
2: N-Bromosuccinimide; N,N-diethylaniline; dibenzoyl peroxide
View Scheme
108-88-3

toluene

30364-38-6

1,2-dihydro-1,1,6-trimethyl-naphthalene

Conditions
ConditionsYield
Multi-step reaction with 6 steps
1: aluminum (III) chloride / Milling
2: hydrogenchloride / water / 4 h / 20 °C
3: trimethylsilyl trifluoromethanesulfonate / dichloromethane; hexane / 15 h / 0 - 20 °C / Inert atmosphere
4: trifluoroacetic acid; trifluoroacetic anhydride / 4 h / 0 - 20 °C
5: cerium(III) chloride heptahydrate; sodium tetrahydroborate / methanol / 0.5 h / 20 °C
6: calcium chloride; toluene-4-sulfonic acid / cyclohexane / 2 h / 50 °C
View Scheme
4619-20-9

3-(4-methylbenzoyl)propionic acid

30364-38-6

1,2-dihydro-1,1,6-trimethyl-naphthalene

Conditions
ConditionsYield
Multi-step reaction with 5 steps
1: hydrogenchloride / water / 4 h / 20 °C
2: trimethylsilyl trifluoromethanesulfonate / dichloromethane; hexane / 15 h / 0 - 20 °C / Inert atmosphere
3: trifluoroacetic acid; trifluoroacetic anhydride / 4 h / 0 - 20 °C
4: cerium(III) chloride heptahydrate; sodium tetrahydroborate / methanol / 0.5 h / 20 °C
5: calcium chloride; toluene-4-sulfonic acid / cyclohexane / 2 h / 50 °C
View Scheme

1,1,6-Trimethyl-1,2-dihydronaphthalene Chemical Properties

Molecule structure of 1,1,6-Trimethyl-1,2-dihydronaphthalene (CAS NO.30364-38-6):

IUPAC Name: 1,1,6-Trimethyl-2H-naphthalene 
Molecular Weight: 172.26614 g/mol
Molecular Formula: C13H16
Density: 0.935 g/cm3 
Boiling Point: 242.2 °C at 760 mmHg 
Flash Point: 94.8 °C
Index of Refraction: 1.528
Molar Refractivity: 56.78 cm3
Molar Volume: 184.2 cm3
Surface Tension: 34.2 dyne/cm 
Enthalpy of Vaporization: 45.97 kJ/mol
Vapour Pressure: 0.0536 mmHg at 25 °C
XLogP3-AA: 4.2 
Exact Mass: 172.125201
MonoIsotopic Mass: 172.125201
Canonical SMILES: CC1=CC2=C(C=C1)C(CC=C2)(C)C
InChI: InChI=1S/C13H16/c1-10-6-7-12-11(9-10)5-4-8-13(12,2)3/h4-7,9H,8H2,1-3H3
InChIKey: RTUMCNDCAVLXEP-UHFFFAOYSA-N
EINECS of 1,1,6-Trimethyl-1,2-dihydronaphthalene (CAS NO.30364-38-6): 250-150-8

1,1,6-Trimethyl-1,2-dihydronaphthalene Specification

 1,1,6-Trimethyl-1,2-dihydronaphthalene (CAS NO.30364-38-6) is also named as 1,1,6-trimethyl-1,2-dihydronaphthalene (TDN) ; 1,2-Dihydro-1,1,6-trimethylnaphthalene ; Naphthalene, 1,2-dihydro-1,1,6-trimethyl- ; naphthalene,1,2-dihydro-1,1,6-trimethyl- .

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