2-Methylindanone (HCID 249262)

Names & identifiers

Preferred name: 2-Methylindanone
IUPAC: 2-methyl-2,3-dihydroinden-1-one
English name: 2-METHYL-1-INDANONE
Molecular formula: C10H10O
Molecular weight: 146.19

Names & synonyms

2-Methyl-1-indanone2-Methyl-indan-1-one2-methylindanone1H-Inden-1-one, 2,3-dihydro-2-methyl-NSC-67345OS704F44DRDTXSID30290210RefChem:476092DTXCID602413562-METHYLINDANONE, (+-)-605-746-617496-14-9

Show more names

2-METHYL-INDANONE2-METHYL-1-INDANONE 97%(R,S)-2-Methyl-indan-1-one2,3-Dihydro-2-methyl-1H-inden-1-one, 1-Oxo-2-methylindane

2-Methyl-2,3-dihydro-1H-inden-1-one2-methylindan-1-one2-methyl-2,3-dihydroinden-1-oneMFCD001923032,3-Dihydro-2-methyl-1H-inden-1-one2-methyl-1-indanonNSC67345NCIOpen2_000118

Database identifiers

CAS: 17496-14-9
PubChem CID: 249262
DTXSID: DTXSID30290210
ChEMBL: CHEMBL155191
UNII: OS704F44DR
EC Number: 605-746-6
Nikkaji: J460.216A

Properties

Computed structural properties

XLogP: 2.2
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 11
Formal charge: 0
Complexity: 174

Physicochemical properties

Melting point: 47 · 47-47.5 °C
Boiling point: 93 · 93-95 °C4 mm Hg(lit.)
Density: 1.064 g/mL · 1.064 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.555(lit.)
Flash point: 230 °F · >230 °F
storage temp.: Sealed in dry,Room Temperature
form: liquid
color: Yellow
InChI: InChI=1S/C10H10O/c1-7-6-8-4-2-3-5-9(8)10(7)11/h2-5,7H,6H2,1H3
InChIKey: BEKNOGMQVKBMQN-UHFFFAOYSA-N
SMILES: C1(=O)C2=C(C=CC=C2)CC1C
FDA UNII: 704 F44DR · OS704F44DR
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
PPE: Eyeshields, Gloves
Hazard Codes: Xi,Xn
Risk Statements: 22 · 22-36/37/38
Safety Statements: 23 · 23-26-36/37/39-36
WGK Germany: 3 · 3
HazardClass: IRRITANT
HS Code: 2914390090 · 2914390090
Storage Class: 10 · 10 - Combustible liquids

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302+H312+H332 (33.3%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (33.3%)

Safety data

PPE: Eyeshields, Gloves
wgk: 3
hs_code: 2914390090
risk_code: 22-36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi,Xn
safety_code: 23-26-36/37/39-36
hazard_class: IRRITANT
Storage Class: 10 - Combustible liquids
Hazard statements: H302-H315-H319-H335
Precautionary statements: P261-P305+P351+P338

Chemistry & industry

Applications · 2 items

Uses2-Methyl-1-indanone may be used as a starting material in the synthesis of β-benzocycloalkenone. It may be used in the synthesis of the following:cyclohex-2-en-1-yl 2-methyl-1H-inden-3-yl carbonate2-hydroxy-2-methyl-1-indanoneO-alkoxycarbonylation of lithium enolates

General Description2-Methyl-1-indanone, a α-benzocycloalkenone, is a derivative of 1-indanone. Its synthesis has been reported. The enzymatic dynamic kinetic resolution (DKR) of racemic 2-methyl-1-indanone has been studied. The asymmetric α-arylation and hydroxymethylation of 2-methyl-1-indanone has been reported. It participated in the synthesis of 2-methyl-6-carboxyazulene.