CAS 2472-22-2 6-Methoxy-1,2,3,4-tetrahydronaphthalen-2-one (HCID 75582)

Names & identifiers

Preferred name: 6-Methoxy-1,2,3,4-tetrahydronaphthalen-2-one
IUPAC: 6-methoxy-3,4-dihydro-1H-naphthalen-2-one
English name: 6-Methoxy-2-tetralone
Molecular formula: C11H12O2
Molecular weight: 176.21

Names & synonyms

6-Methoxy-2-tetralone2472-22-26-Methoxy-1,2,3,4-tetrahydronaphthalen-2-oneEINECS 219-592-9DTXSID50179452RefChem:543539DTXCID801019433,4Dihydro6methoxy2(1H)naphthalenone6Methoxy1,2,3,4tetrahydronaphthalen2one219-592-96-methoxy-3,4-dihydronaphthalen-2(1H)-one6-methoxy-3,4-dihydro-1H-naphthalen-2-one

Show more names

6-Methoxytetralin-2-oneCompound Fr122886-methoxy-2-Tetrlone4-dihydro-6-Methoxy-6-Methoxy-2-tetralone>6-METHOXY-2-TETRALONE 95%6-Methoxy-2-tetralone,98%

6-methoxyl-2-tetralone2(1H)-Naphthalenone, 3,4-dihydro-6-methoxy-MFCD000017296-Methoxy-3,4-dihydro-2(1H)-naphthalenone2672-22-23,4-DIHYDRO-6-METHOXYNAPHTHALEN-2(1H)-ONE3,4-Dihydro-6-methoxy-2(1H)-naphthalenoneMaybridge4_003003

Database identifiers

CAS: 2472-22-2
PubChem CID: 75582
DTXSID: DTXSID50179452
ChEMBL: CHEMBL445805
UNII: LAV9W5N9D9
EC Number: 219-592-9
Nikkaji: J80.498C

Properties

Computed structural properties

XLogP: 1.6
Topological polar surface area: 26.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 13
Formal charge: 0
Complexity: 200

Experimental & physicochemical properties

Chemical ClassesOther Classes -> Aromatic Ketones

Physical DescriptionYellow to red-orange solid; mp = 33-35 deg C; [Acros Organics MSDS]

Physicochemical properties

Melting point: 28 · 28-35 °C
Boiling point: 114 · 114-116 °C (0.2 mmHg)
Density: 1.0431 · 1.0431 (rough estimate)
refractive index: 20 · n20/D 1.5645(lit.)
Flash point: 230 °F · >230 °F
storage temp.: 2 · 2-8°C
form: Crystalline Low Melting Solid
color: Light yellow-beige to orange
Sensitive: Air Sensitive
BRN: 513418 · 513418
InChI: InChI=1S/C11H12O2/c1-13-11-5-3-8-6-10(12)4-2-9(8)7-11/h3,5,7H,2,4,6H2,1H3
InChIKey: RMRKDYNVZWKAFP-UHFFFAOYSA-N
SMILES: C1C2=C(C=C(OC)C=C2)CCC1=O
CAS DataBase Reference: 2472 · 2472-22-2(CAS DataBase Reference)
FDA UNII: 9 W5N9D9 · LAV9W5N9D9
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 233 · P233-P260-P261-P264-P271-P280-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501
PPE: Eyeshields, Gloves
Hazard Codes: Xi
Safety Statements: 24 · 24/25
WGK Germany: 3 · 3
HazardClass: IRRITANT
HS Code: 29145090 · 29145090
Storage Class: 10 · 10 - Combustible liquids

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazards SummaryMay cause irritation; [Acros Organics MSDS] See 6-Methoxy-alpha-tetralone and 1-Tetralone.

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

PPE: Eyeshields, Gloves
wgk: 3
hs_code: 29145090
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 24/25
hazard_class: IRRITANT
Storage Class: 10 - Combustible liquids
Hazard statements: H315-H319-H335
Precautionary statements: P233-P260-P261-P264-P271-P280-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501

Chemistry & industry

Applications · 2 items

Description6-methoxy-2-tetralone has been selected as the starting material for the synthesis of many steroidal compounds, including 2-aminotetalin derivatives, which exhibit antifungal activities, tetrahydro benzocycloheptane and many terpenoid compounds. 6-methoxy-2-tetralone is more expensive, difficult to synthesize, and unstable in comparison to 6-methoxy-1-tetralone[1].

Uses6-Methoxy-3,4-dihydro-2(1H)-naphthalenone was used in the synthesis of 1, 2, 3, 4-tetrahydro-2-naphthylamine derivatives.