5-Methyl-1-indanone supplier

Name
5-Methyl-1-indanone
EINECS
CAS No. 4593-38-8
Article Data2
CAS DataBase
Density 1.113 g/cm³
Solubility
Melting Point 69-73 °C
Formula C₁₀H₁₀O
Boiling Point 262.419 °C at 760 mmHg
Molecular Weight 146.189
Flash Point 108.388 °C
Transport Information
Appearance white to light yellow crystal powder
Safety 36/37
Risk Codes 22
Molecular Structure
Hazard Symbols Xn
Synonyms 1-Indanone,5-methyl- (6CI,7CI,8CI);
PSA 17.07000
LogP 2.12390

5-Methyl-1-indanone Specification

The 1H-Inden-1-one,2,3-dihydro-5-methyl- is an organic compound with the formula C₁₀H₁₀O. The IUPAC name of this chemical is 5-methyl-2,3-dihydroinden-1-one. With the CAS registry number 4593-38-8, it is also named as 5-Methyl-1-indanone. The product's categories are Indanone & Indene; Fused Ring Systems. It is white to light yellow crystal powder which is harmful if swallowed. If you want to contact this product, you must wear suitable protective clothing and gloves.

The other characteristics of 1H-Inden-1-one,2,3-dihydro-5-methyl- can be summarized as: (1)ACD/LogP: 1.75; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 52; (6)ACD/BCF (pH 7.4): 52; (7)ACD/KOC (pH 5.5): 588; (8)ACD/KOC (pH 7.4): 588; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 17.07 Å²; (13)Index of Refraction: 1.575; (14)Molar Refractivity: 43.383 cm³; (15)Molar Volume: 131.297 cm³; (16)Polarizability: 17.198×10^-24 cm³; (17)Surface Tension: 42.868 dyne/cm; (18)Density: 1.113 g/cm³; (19)Flash Point: 108.388 °C; (20)Enthalpy of Vaporization: 50.02 kJ/mol; (21)Boiling Point: 262.419 °C at 760 mmHg; (22)Vapour Pressure: 0.011 mmHg at 25°C.

People can use the following data to convert to the molecule structure.
1. SMILES:O=C2c1ccc(cc1CC2)C
2. InChI:InChI=1/C10H10O/c1-7-2-4-9-8(6-7)3-5-10(9)11/h2,4,6H,3,5H2,1H3
3. InChIKey:KBHCTNGQJOEDDC-UHFFFAOYAQ
4. Std. InChI:InChI=1S/C10H10O/c1-7-2-4-9-8(6-7)3-5-10(9)11/h2,4,6H,3,5H2,1H3
5. Std. InChIKey:KBHCTNGQJOEDDC-UHFFFAOYSA-N

Product Name

5-Methyl-1-indanone

5-Methyl-1-indanone Specification

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