MONO-(1S)-(+)-MENTHYL PHTHALATE

The Mono-(1S)-(+)-menthyl phthalate, with the CAS registry number 53623-42-0, is also known as 1,2-Benzenedicarboxylic acid 1-[(1S,2R,5S)-5-methyl-2-(1-methylethyl)cyclohexyl] ester. This chemical's molecular formula is C₁₈H₂₄O₄ and molecular weight is 304.38. Its systematic name is called 2-({[(1S,2R,5S)-5-methyl-2-(1-methylethyl)cyclohexyl]oxy}carbonyl)benzoic acid. The product should be sealed and stored in cool and dry place.

Physical properties of Mono-(1S)-(+)-menthyl phthalate: (1)ACD/LogP: 5.04; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 32; (6)ACD/BCF (pH 7.4): 3; (7)ACD/KOC (pH 5.5): 106; (8)ACD/KOC (pH 7.4): 11; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Index of Refraction: 1.538; (13)Molar Refractivity: 83.686 cm³; (14)Molar Volume: 267.519 cm³; (15)Surface Tension: 44.954 dyne/cm; (16)Density: 1.138 g/cm³; (17)Flash Point: 152.226 °C; (18)Enthalpy of Vaporization: 73.071 kJ/mol; (19)Boiling Point: 436.752 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25°C.

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

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O[C@@H]1[C@H](CC[C@@H](C1)C)C(C)C)c2ccccc2C(=O)O
(2)InChI: InChI=1/C18H24O4/c1-11(2)13-9-8-12(3)10-16(13)22-18(21)15-7-5-4-6-14(15)17(19)20/h4-7,11-13,16H,8-10H2,1-3H3,(H,19,20)/t12-,13+,16-/m0/s1
(3)InChIKey: LJFJPDHXAWVDSA-ZENOOKHLBQ