ChemicalBook CAS DataBase List 615-13-4

615-13-4

Name	2-Indanone
CAS	615-13-4
EINECS(EC#)	210-410-3
Molecular Formula	C9H8O
MDL Number	MFCD00003792
Molecular Weight	132.16
MOL File	615-13-4.mol

Chemical Properties

Appearance	Wet crystalline aggregates
Melting point	51-54 °C (lit.)
Boiling point	218°C
density	1.0712
refractive index	1.5380 (estimate)
Fp	212 °F
storage temp.	2-8°C
solubility	Chloroform (Slightly), Ethyl Acetate (Slightly)
form	Crystals or Powder
color	Light yellow to yellow-brown
Specific Gravity	1.07 (liquid)
Odor	moderately tenacious odor
Odor Threshold	0.00036ppm
Water Solubility	insoluble
Sensitive	Hygroscopic
BRN	636550
InChI	1S/C9H8O/c10-9-5-7-3-1-2-4-8(7)6-9/h1-4H,5-6H2
InChIKey	UMJJFEIKYGFCAT-UHFFFAOYSA-N
SMILES	O=C1Cc2ccccc2C1
LogP	1.230 (est)
CAS DataBase Reference	615-13-4(CAS DataBase Reference)
NIST Chemistry Reference	2H-inden-2-one, 1,3-dihydro-(615-13-4)
EPA Substance Registry System	615-13-4(EPA Substance)

Safety Data

Symbol(GHS)	GHS07
Signal word	Warning
Hazard statements	H302-H315-H319-H335
Precautionary statements	P261-P305+P351+P338
Hazard Codes	Xi
Risk Statements	R36/37/38:Irritating to eyes, respiratory system and skin . less more
Safety Statements	S22:Do not breathe dust . S24/25:Avoid contact with skin and eyes . S36:Wear suitable protective clothing . S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice . less more
WGK Germany	3
RTECS	NK7535500
F	3
Hazard Note	Irritant
TSCA	Yes
REACH Registrations	Active
HS Code	29143900
Storage Class	11 - Combustible Solids

Raw materials And Preparation Products

Hazard Information

Chemical Properties

Wet crystalline aggregates or needle-like crystals (formed by ethanol or ether) evaporate when in contact with water vapor. These crystals have a melting point range of 58-61 ℃ and a flash point of 100 ℃. Indene compounds are commonly found in numerous natural products, exhibiting diverse physiological activities and serving as crucial intermediates in organic synthesis processes.

Uses

2-Indanone(615-13-4) undergoes TiCl4-Mg mediated coupling with CHBr3 to yield dibromomethyl carbinol. It reacts with 5,5-dimethyl-3-pyrazolidinone to yield 5,5-dimethyl-2-(1H-indenyl-2)-3-pyrazolidinone. On photolysis by 266-nm one-photon excitation yields o-xylylene. It was used as starting reagent in the synthesis of indene-fused porphyrins.

Application

2-Indanone is mentioned mainly for the completion and illustration of the series in which dpila- and be{u-Hydrindone have been emphasized as having potential interest in the perfume industry. It is the author's impression that the two materials are not used in perfumes or flavors.

Definition

ChEBI: 2-Indanone is an indanone with an oxo substituent at position 2. It is a metabolite of indane. It has a role as a xenobiotic metabolite. 2-Indanone is an intermediate for the preparation of aprindine hydrochloride and ceforanide. It is an important intermediate in organic synthesis.

Preparation

2-Indanone is prepared by using acetic acid as solvent, acetic anhydride as catalyst and through hydrogen peroxide oxidation into 1, 2-indenediol, which reacted with dilute sulfuric acid solution in order to obtain crude 2-indanone. Finally, vacuum sublimation to obtain 2-indanone with high-purity, the total yield is 89%.

Synthesis Reference(s)

Chemistry Letters, 11, p. 325, 1982
Organic Syntheses, Coll. Vol. 5, p. 647, 1973
Tetrahedron Letters, 15, p. 3789, 1974 DOI: 10.1016/S0040-4039(01)92010-6

General Description

2-Indanone undergoes TiCl₄-Mg mediated coupling with CHBr₃to yield dibromomethyl carbinol. It reacts with 5,5-dimethyl-3-pyrazolidinone to yield 5,5-dimethyl-2-(1H-indenyl-2)-3-pyrazolidinone. 2-Indanone on photolysis by 266-nm one-photon excitation yields o-xylylene.

Material Safety Data Sheet(MSDS)

Spectrum Detail

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