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1,3,5-Benzenetrimethanol (4464-18-0)

Identification
Name:1,3,5-Benzenetrimethanol
Synonyms:a,a',a''-Mesitylenetriol (7CI,8CI);1,3,5-Trihydroxymethylbenzene;1,3,5-Trimethylolbenzene;1,3,5-Tris(hydroxymethyl)benzene;s-Phenenyltrimethanol;
CAS:4464-18-0
Molecular Formula: C9H12O3
Molecular Weight: 168.19
InChI: InChI=1/C9H12O3/c10-4-7-1-8(5-11)3-9(2-7)6-12/h1-3,10-12H,4-6H2
Molecular Structure: (C9H12O3) a,a',a''-Mesitylenetriol (7CI,8CI);1,3,5-Trihydroxymethylbenzene;1,3,5-Trimethylolbenzene;1,3,5-Tris...
Properties
Density:1.285 g/cm3
Refractive index:1.613
Specification:

The CAS register number of 1,3,5-Benzenetrimethanol is 4464-18-0. It also can be called as 1,3,5-Trihydroxymethylbenzene and the IUPAC name about this chemical is [3,5-bis(hydroxymethyl)phenyl]methanol. The molecular formula about this chemical is C9H12O3 and molecular weight is 168.19. It belongs to the Alcohol& Phenol& Ethers.

Physical properties about 1,3,5-Benzenetrimethanol are: (1)ACD/LogP: -1.33; (2)ACD/LogD; (pH 5.5): -1.33; (3)ACD/LogD; (pH 7.4): -1.33; (4)ACD/BCF; (pH 5.5): 1; (5)ACD/BCF; (pH 7.4): 1; (6)ACD/KOC; (pH 5.5): 4.49; (7)ACD/KOC; (pH 7.4): 4.49; (8)#H bond acceptors: 3; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 6; (11)Polar Surface Area: 27.69 Å2; (12)Index of Refraction: 1.613; (13)Molar Refractivity: 45.6 cm3; (14)Molar Volume: 130.8 cm3; (15)Polarizability: 18.07x10-24cm3; (16)Surface Tension: 62.4 dyne/cm; (17)Enthalpy of Vaporization: 67.33 kJ/mol; (18)Boiling Point: 389.1 °C at 760 mmHg; (19)Vapour Pressure: 9.46E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: OCc1cc(cc(c1)CO)CO
(2)InChI: InChI=1/C9H12O3/c10-4-7-1-8(5-11)3-9(2-7)6-12/h1-3,10-12H,4-6H2
(3)InChIKey: SQAMZFDWYRVIMG-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C9H12O3/c10-4-7-1-8(5-11)3-9(2-7)6-12/h1-3,10-12H,4-6H2
(5)Std. InChIKey: SQAMZFDWYRVIMG-UHFFFAOYSA-N

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