3-(3,5-Di-tert-butyl-4-hydroxyphenyl)propionic acid supplier

Name
3-(3,5-Di-tert-butyl-4-hydroxyphenyl)propionic acid
EINECS 243-556-1
CAS No. 20170-32-5
Article Data11
CAS DataBase
Density 1.05 g/cm³
Solubility Slightly soluble in water.
Melting Point 172-174 °C
Formula C₁₇H₂₆O₃
Boiling Point 364.279 °C at 760 mmHg
Molecular Weight 278.392
Flash Point 188.295 °C
Transport Information
Appearance
Safety 26-36/37/39
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols
Synonyms Hydrocinnamicacid, 3,5-di-tert-butyl-4-hydroxy- (6CI,7CI,8CI);3,5-Bis(1,1-dimethylethyl)-4-hydroxybenzenepropanoic acid;3,5-Di-tert-butyl-4-hydroxybenzenepropanoic acid;3,5-Di-tert-butyl-4-hydroxyhydrocinnamic acid;4-Hydroxy-3,5-di-tert-butylphenylpropionic acid;Fenozan;Fenozan acid;Phenosan;Phenoxan(antioxidant);b-(3,5-Di-tert-butyl-4-hydroxyphenyl)propionic acid;b-(4-Hydroxy-3,5-di-tert-butylphenyl)propanoicacid;b-(4-Hydroxy-3,5-di-tert-butylphenyl)propionicacid;
PSA 57.53000
LogP 4.00440

3-(3,5-Di-tert-butyl-4-hydroxyphenyl)propionic acid Specification

The 3-(3,5-Di-tert-butyl-4-hydroxyphenyl)propionic acid, with the CAS registry number 20170-32-5, is also known as Fenozan. It belongs to the product categories of Aromatic Propionic Acids; Carboxylic. Its EINECS registry number is 243-556-1. This chemical's molecular formula is C₁₇H₂₆O₃ and molecular weight is 278.39. What's more, its systematic name is called 3-[4-Hydroxy-3,5-bis(2-methyl-2-propanyl)phenyl]propanoic acid. It should be stored in a cool, dry and sealed place.

Physical properties about 3-(3,5-Di-tert-butyl-4-hydroxyphenyl)propionic acid are: (1)ACD/LogP: 3.551; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.58; (4)ACD/LogD (pH 7.4): 0.77; (5)ACD/BCF (pH 5.5): 31.26; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 216.26; (8)ACD/KOC (pH 7.4): 3.40; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 57.53 Å²; (13)Index of Refraction: 1.52; (14)Molar Refractivity: 80.656 cm³; (15)Molar Volume: 265.188 cm³; (16)Polarizability: 31.974×10^-24cm³; (17)Surface Tension: 37.568 dyne/cm; (18)Density: 1.05 g/cm³; (19)Flash Point: 188.295 °C; (20)Enthalpy of Vaporization: 64.406 kJ/mol; (21)Boiling Point: 364.279 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

When you are dealing with this chemical, you should be very careful. This chemical is irritating to eyes, respiratory system and skin. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. In case of contacting with eyes, you should 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)CCc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C
(2) InChI: InChI=1S/C17H26O3/c1-16(2,3)12-9-11(7-8-14(18)19)10-13(15(12)20)17(4,5)6/h9-10,20H,7-8H2,1-6H3,(H,18,19)
(3) InChIKey: WPMYUUITDBHVQZ-UHFFFAOYSA-N

Product Name

3-(3,5-Di-tert-butyl-4-hydroxyphenyl)propionic acid

3-(3,5-Di-tert-butyl-4-hydroxyphenyl)propionic acid Specification

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