CAS No.97888-80-7,4-Benzyloxy-3,5-dimethylbenzoic acid Suppliers

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Basic Information

Molecular Structure:
CAS No.:	97888-80-7
Name:	4-Benzyloxy-3,5-dimethylbenzoic acid
Article Data:	1

Formula:	C₁₆H₁₆O₃
Molecular Weight:	256.301
Synonyms:	4-Benzyloxy-3,5-dimethylbenzoicacid;
EINECS:	-0
Density:	1.169 g/cm³
Melting Point:	159-162 °C
Boiling Point:	408.6 °C at 760 mmHg
Flash Point:	150.3 °C
Appearance:	Light brown solid.
Hazard Symbols:	Xn
Risk Codes:	36/37/38
Safety:	26-36/37/39
PSA:	46.53000
LogP:	3.58060

Total:27 Page 1 of 1 1

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Specification

The CAS register number of 4-Benzyloxy-3,5-dimethylbenzoic acid is 97888-80-7. It also can be called as Benzoic acid,3,5-dimethyl-4-(phenylmethoxy)- and the systematic name about this chemical is 4-(benzyloxy)-3,5-dimethylbenzoic acid. The molecular formula about this chemical is C₁₆H₁₆O₃and molecular weight is 256.30. It belongs to the following product categories, such as Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts and so on.

Physical properties about 4-Benzyloxy-3,5-dimethylbenzoic acid are: (1)ACD/LogP: 4.54; (2)ACD/LogD (pH 5.5): 3.59; (3)ACD/LogD (pH 7.4): 1.9; (4)ACD/BCF (pH 5.5): 186.92; (5)ACD/BCF (pH 7.4): 3.8; (6)ACD/KOC (pH 5.5): 792.46; (7)ACD/KOC (pH 7.4): 16.1; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 35.53Å²; (12)Index of Refraction: 1.59; (13)Molar Refractivity: 73.99 cm³; (14)Molar Volume: 219.2 cm³; (15)Polarizability: 29.33x10^-24cm³; (16)Surface Tension: 46.8 dyne/cm; (17)Enthalpy of Vaporization: 69.66 kJ/mol; (18)Boiling Point: 408.6 °C at 760 mmHg; (19)Vapour Pressure: 2.08E-07 mmHg at 25°C.

Uses of -Benzyloxy-3,5-dimethylbenzoic acid: it can be used to produce 4-hydroxy-3,5-dimethyl-benzoic acid at heating. This reaction will need reagent aq. HBr, TBAB and solvent CH₂Cl₂ with reaction time of 24 hours. The yield is about 87.3%.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c2cc(c(OCc1ccccc1)c(c2)C)C
(2)InChI: InChI=1/C16H16O3/c1-11-8-14(16(17)18)9-12(2)15(11)19-10-13-6-4-3-5-7-13/h3-9H,10H2,1-2H3,(H,17,18)
(3)InChIKey: JABUPJCJZZNUFK-UHFFFAOYAC
(4)Std. InChI: InChI=1S/C16H16O3/c1-11-8-14(16(17)18)9-12(2)15(11)19-10-13-6-4-3-5-7-13/h3-9H,10H2,1-2H3,(H,17,18)
(5)Std. InChIKey: JABUPJCJZZNUFK-UHFFFAOYSA-N