Name: 3,5-DIISOPROPYLSALICYLIC ACID
SKU: 2215-21-6

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Basic Information

Molecular Structure:
CAS No.:	2215-21-6
Name:	3,5-DIISOPROPYLSALICYLIC ACID

Formula:	C₁₃H₁₈O₃
Molecular Weight:	222.284
Synonyms:	Salicylicacid, 3,5-diisopropyl- (6CI,7CI,8CI);2-Hydroxy-3,5-diisopropylbenzoic acid;3,5-Diisopropyl-2-hydroxybenzoic acid;
EINECS:	218-677-8
Density:	1.108 g/cm³
Melting Point:	113-115 °C(lit.)
Boiling Point:	324.5 °C at 760 mmHg
Flash Point:	164.3 °C
Appearance:	beige to grey crystalline powder
Hazard Symbols:	Xi
Risk Codes:	36/37
Safety:	22-26-37/39
PSA:	57.53000
LogP:	3.33720

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Specification

The Benzoic acid,2-hydroxy-3,5-bis(1-methylethyl)-, also known as 3,5-Diisopropylsalicylic acid, is the organic compound with the formula C₁₃H₁₈O₃. It belongs to the product category of Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts. Its EINECS registry number is 218-677-8. With the CAS registry number 2215-21-6, its IUPAC name is 2-hydroxy-3,5-di(propan-2-yl)benzoic acid.

Physical properties of Benzoic acid,2-hydroxy-3,5-bis(1-methylethyl)-: (1)ACD/LogP: 4.74; (2)ACD/LogD (pH 5.5): 1.8; (3)ACD/LogD (pH 7.4): 1.59; (4)ACD/BCF (pH 5.5): 2.72; (5)ACD/BCF (pH 7.4): 1.68; (6)ACD/KOC (pH 5.5): 10.41; (7)ACD/KOC (pH 7.4): 6.43; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 4; (11)Index of Refraction: 1.545; (12)Molar Refractivity: 63.43 cm³; (13)Molar Volume: 200.5 cm³; (14)Surface Tension: 43.3 dyne/cm; (15)Density: 1.108 g/cm³; (16)Flash Point: 164.3 °C; (17)Enthalpy of Vaporization: 59.81 kJ/mol; (18)Boiling Point: 324.5 °C at 760 mmHg; (19)Vapour Pressure: 0.0001 mmHg at 25°C.

Uses of Benzoic acid,2-hydroxy-3,5-bis(1-methylethyl)-: this chemical can be used to prepare 2,4-Diisopropyl-phenol at 200 °C.

Benzoic acid,2-hydroxy-3,5-bis(1-methylethyl)- can be used to prepare 2,4-Diisopropyl-phenol

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 and respiratory system. 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 gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(C)C1=CC(=C(C(=C1)C(=O)O)O)C(C)C
(2)InChI: InChI=1S/C13H18O3/c1-7(2)9-5-10(8(3)4)12(14)11(6-9)13(15)16/h5-8,14H,1-4H3,(H,15,16)
(3)InChIKey: XUFUYOGWFZSHGE-UHFFFAOYSA-N