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Mono-(1S)-(+)-menthyl phthalate

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Name

Mono-(1S)-(+)-menthyl phthalate

EINECS 200-589-5
CAS No. 53623-42-0 Density 1.138 g/cm3
PSA 63.60000 LogP 4.00240
Solubility N/A Melting Point 108-113 °C
Formula C18H24O4 Boiling Point 436.752 °C at 760 mmHg
Molecular Weight 304.386 Flash Point 152.226 °C
Transport Information N/A Appearance N/A
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 53623-42-0 (MONO-(1S)-(+)-MENTHYL PHTHALATE) Hazard Symbols IrritantXi
Synonyms

1,2-Benzenedicarboxylic acid, mono[5-methyl-2-(1-methylethyl)cyclohexyl] ester,[1S-(1a,2b,5a)]-;

Article Data 10

Mono-(1S)-(+)-menthyl phthalate Specification

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

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