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6-Methyltetralin

HCID 15514
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Basic information

CAS
1680-51-9
Standard SMILES
Cc1ccc2c(c1)CCCC2
InChIKey
IVIDJLLPQYHHLM-UHFFFAOYSA-N
Molecular formula
C11H14
Average molar mass
146.23 g/mol
Monoisotopic mass
146.10955045

Names & identifiers

Preferred name
6-Methyltetralin
IUPAC
6-methyl-1,2,3,4-tetrahydronaphthalene
English name
6-Methyltetraline
Molecular formula
C11H14
Molecular weight
146.23

Names & synonyms

1680-51-96-METHYLTETRALINDTXSID30168460RefChem:1074090DTXCID10909516-methyl-1,2,3,4-tetrahydronaphthalene6-MethyltetralineNaphthalene, 1,2,3,4-tetrahydro-6-methyl-MFCD00216194NSC66994SCHEMBL597333orb3021405
Show more names
2-methyl-5,6,7,8-tetrahydronaphthalene1,2,3,4-Tetrahydro-6-methyl-naphthalene6-methyl-1,2,3,4-tetrahydro-naphthalene6-Methyl-(1,2,3,4-tetrahydronaphthalene)naphthalene,1,2,3,4-tetrahydro-6-methyl-Naphthalene, 6-methyl-1,2,3,4-tetrahydro-
SCHEMBL4174508SCHEMBL11068953SCHEMBL17288384SCHEMBL17288542SCHEMBL17288604SCHEMBL17288711SCHEMBL23174663NSC 66994

Database identifiers

CAS
1680-51-9
PubChem CID
15514
DTXSID
DTXSID30168460
EC Number
116-946-3
Nikkaji
J101.411K

Properties

Computed structural properties

XLogP
3.7
Topological polar surface area
0 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
0
Rotatable bonds
0
Heavy atoms
11
Formal charge
0
Complexity
128

Experimental & physicochemical properties

SpringerMaterials PropertiesBoiling point

Physicochemical properties

Melting point
-40 °C · -40°C
Boiling point
225.87 °C · 225.87°C (estimate)
Density
0.9537 · 0.9537
refractive index
1.5357 · 1.5357
storage temp.
Sealed in dry,Room Temperature
Appearance
Colorless to light yellow Liquid
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
302 · H302-H315-H319-H335
Precautionary statements
261 · P261-P305+P351+P338

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H315-H319-H335
Precautionary statements
P261-P305+P351+P338

Chemistry & industry

Upstream & downstream products

Upstream raw materials

1,2-Dihydro-6-methylnaphthalene7-Bromo-1-tetralone2-Naphthalenemethanol, 5,6,7,8-tetrahydro-1,7-Octadiyne7-Methyl-1-tetralone1-HexadeceneMolybdenum hexacarbonyl7-Bromo-1,2,3,4-tetrahydronaphthalen-1-olAllyl toluene-4-sulfonate2-Methylnaphthalene

Downstream products

2-methyltetralinNaphthalene,decahydro-2-methyl-5-Methyltetraline

Suppliers

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Related reactions

4 records
New reaction record
HRID 493077 reaction equation
HRID 493077As reactantuspto-grants-2009_05
HRID 746373 reaction equation
HRID 746373As reactantuspto-grants-2008_07
HRID 1151843 reaction equation
HRID 1151843As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)
HRID 2223482 reaction equation
HRID 2223482As reactantuspto-grants-2008_05

Compound notes

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