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1,1,6-Trimethyl-1,2-dihydronaphthalene(CAS No. 30364-38-6)

1,1,6-Trimethyl-1,2-dihydronaphthalene C13H16 (cas 30364-38-6) Molecular Structure

30364-38-6 Structure

Identification and Related Records

【Name】
1,1,6-Trimethyl-1,2-dihydronaphthalene
【Iupac name】
1,1,6-trimethyl-2H-naphthalene
【CAS Registry number】
30364-38-6
【Synonyms】
Naphthalene,1,2-dihydro-1,1,6-trimethyl-
1,2-Dihydro-1,1,6-trimethylnaphthalene
Dehydro-ar-ionene
【EINECS(EC#)】
250-150-8
【Molecular Formula】
C13H16 (Products with the same molecular formula)
【Molecular Weight】
172.27
【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
【Canonical SMILES】
CC1=CC2=C(C=C1)C(CC=C2)(C)C
【MOL File】
30364-38-6.mol

Chemical and Physical Properties

【Density】
0.935 g/cm3
【Boiling Point】
242.2 °C at 760 mmHg
【Refractive Index】
1.528
【Flash Point】
94.8 °C
【Computed Properties】
Molecular Weight:172.26614 [g/mol]
Molecular Formula:C13H16
XLogP3-AA:4.2
H-Bond Donor:0
H-Bond Acceptor:0
Rotatable Bond Count:0
Exact Mass:172.125201
MonoIsotopic Mass:172.125201
Topological Polar Surface Area:0
Heavy Atom Count:13
Formal Charge:0
Complexity:212
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Hydrophobe Count:1
Feature 3D Ring Count:2
Effective Rotor Count:0.4
Conformer Sampling RMSD:0.4
CID Conformer Count:2

Safety and Handling

【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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