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CAS No.: | 20170-32-5 |
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Name: | 3-(3,5-Di-tert-butyl-4-hydroxyphenyl)propionic acid |
Article Data: | 11 |
Molecular Structure: | |
Formula: | C17H26O3 |
Molecular Weight: | 278.392 |
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; |
EINECS: | 243-556-1 |
Density: | 1.05 g/cm3 |
Melting Point: | 172-174 °C |
Boiling Point: | 364.279 °C at 760 mmHg |
Flash Point: | 188.295 °C |
Solubility: | Slightly soluble in water. |
Risk Codes: | 36/37/38 |
Safety: | 26-36/37/39 |
PSA: | 57.53000 |
LogP: | 4.00440 |
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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