1H-2-Benzopyran,3,4-dihydro-4-methyl- supplier

Name
3,4-dihydro-4-methyl-1H-2-benzopyran
EINECS 247-490-4
CAS No. 26164-08-9
Article Data8
CAS DataBase
Density 1.006 g/cm³
Solubility
Melting Point
Formula C₁₀H₁₂O
Boiling Point 234.7 °C at 760 mmHg
Molecular Weight 148.205
Flash Point 91.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Isochroman,4-methyl- (6CI,8CI);4-Methylisochroman;4-Methyl-3,4-dihydro-1H-isochromene;3,4-Dihydro-4-methyl-1H-2-benzopyran;
PSA 9.23000
LogP 2.32030

1H-2-Benzopyran,3,4-dihydro-4-methyl- Specification

The 1H-2-Benzopyran,3,4-dihydro-4-methyl-, with the CAS registry number 26164-08-9, is also known as 3,4-Dihydro-4-methyl-1H-2-benzopyran. Its EINECS number is 247-490-4. This chemical's molecular formula is C₁₀H₁₂O and molecular weight is 148.2. What's more, its systematic name is 4-methyl-3,4-dihydro-1H-isochromene.

Physical properties of 1H-2-Benzopyran,3,4-dihydro-4-methyl- are: (1)ACD/LogP: 2.55; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.55; (4)ACD/LogD (pH 7.4): 2.55; (5)ACD/BCF (pH 5.5): 51.26; (6)ACD/BCF (pH 7.4): 51.26; (7)ACD/KOC (pH 5.5): 582.75; (8)ACD/KOC (pH 7.4): 582.75; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 9.23 Å²; (13)Index of Refraction: 1.519; (14)Molar Refractivity: 44.74 cm³; (15)Molar Volume: 147.2 cm³; (16)Polarizability: 17.73×10^-24cm³; (17)Surface Tension: 34.6 dyne/cm; (18)Density: 1.006 g/cm³; (19)Flash Point: 91.3 °C; (20)Enthalpy of Vaporization: 45.23 kJ/mol; (21)Boiling Point: 234.7 °C at 760 mmHg; (22)Vapour Pressure: 0.0797 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O2Cc1c(cccc1)C(C2)C
(2)InChI: InChI=1S/C10H12O/c1-8-6-11-7-9-4-2-3-5-10(8)9/h2-5,8H,6-7H2,1H3
(3)InChIKey: KFOXDILMEHCWMS-UHFFFAOYSA-N

Product Name

3,4-dihydro-4-methyl-1H-2-benzopyran

1H-2-Benzopyran,3,4-dihydro-4-methyl- Specification

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