Hexanedioic acid,3-(1,1-dimethylethyl)- (10347-88-3)

The IUPAC name of this product is 3-tert-butylhexanedioic acid . With the CAS registry number 10347-88-3, it is also named as hexanedioic acid, 3-(1,1-dimethylethyl)- ; beta-tert-Butyl-adipic acid . The product's categories are C10, carbonyl compounds and carboxylic acids. It must be stored in the cool and dry place.

The 3-tert-Butyladipic acid is irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing. In case of fire, use water, dry chemical, chemical foam, or alcohol-resistant foam, use agent most appropriate to extinguish fire. The 3-tert-Butyladipic acid can be obtained by 4-tert-butyl-cyclohexanone , 4-t-Butyl-2-nitrocyclohexanone and 4-tert-butyl-cyclohexanol , reapectively.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 1.66 ; (2)# of Rule of 5 Violations: 0 ; (3)ACD/LogD (pH 5.5): 0.04 ; (4)ACD/LogD (pH 7.4): -2.96 ; (5)ACD/BCF (pH 5.5): 1 ; (6)ACD/BCF (pH 7.4): 1 ; (7)ACD/KOC (pH 5.5): 4.55 ; (8)ACD/KOC (pH 7.4): 1 ; (9)#H bond acceptors: 4 ; (10)#H bond donors: 2 ; (11)#Freely Rotating Bonds: 6 ; (12)Index of Refraction: 1.473 ; (13)Molar Refractivity: 51.43 cm3 ; (14)Molar Volume: 183.2 cm3 ; (15)Polarizability: 20.38 10-24cm3 ; (16)Surface Tension: 41.8 dyne/cm ; (17)Enthalpy of Vaporization: 65.61 kJ/mol ; (18)Vapour Pressure: 6.55E-06 mmHg at 25°C ; (19)Rotatable Bond Count: 6 ; (20)Exact Mass: 202.120509 ; (21)MonoIsotopic Mass: 202.120509 ; (22)Topological Polar Surface Area: 74.6 ; (23)Heavy Atom Count: 14 ; (24)Complexity: 215.

People can use the following data to convert to the molecule structure. SMILES: O=C(O)CCC(C(C)(C)C)CC(=O)O; InChI: InChI=1/C10H18O4/c1-10(2,3)7(6-9(13)14)4-5-8(11)12/h7H,4-6H2,1-3H3,(H,11,12)(H,13,14). 3-tert-Butyladipic acid has many suppliers, such as Changzhou Sunlight Pharmaceutical Co., Ltd..