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| Name |
4,4'-Butylidenebis(6-tert-butyl-3-methylphenol) |
EINECS | 201-618-5 |
| CAS No. | 85-60-9 | Density | 1.002 g/cm3 |
| PSA | 40.46000 | LogP | 7.24160 |
| Solubility | 4μg/L at 20℃ | Melting Point |
211°C |
| Formula | C26H38O2 | Boiling Point | 475.497 °C at 760 mmHg |
| Molecular Weight | 382.587 | Flash Point | 196.835 °C |
| Transport Information | N/A | Appearance | White to off white powder |
| Safety | 26-36/37/39 | Risk Codes | 36/37/38 |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
m-Cresol,4,4'-butylidenebis[6-tert-butyl- (6CI,7CI,8CI);1,1-Bis(2-methyl-4-hydroxy-5-tert-butylphenyl)butane;1,1-Bis(2-methyl-5-tert-butyl-4-hydroxyphenyl)butane;1,1-Bis(3-tert-butyl-4-hydroxy-6-methylphenyl)butane;1,1-Bis(3-tert-butyl-6-methyl-4-hydroxyphenyl)butane;1,1-Bis(4-hydroxy-3-tert-butyl-6-methylphenyl)butane;1,1-Bis(5-tert-butyl-4-hydroxy-2-methylphenyl)butane;4,4'-Butylidenebis(3-methyl-6-t-butylphenol);4,4'-Butylidenebis(3-methyl-6-tert-butylphenol);4,4'-Butylidenebis[2-tert-butyl-5-methylphenol];4,4'-Butylidenebis[3-methyl-6-tert-butylphenol];4,4'-Butylidenebis[6-tert-butyl-3-methylphenol];4,4'-Butylidenebis[6-tert-butyl-m-cresol];ADK Stab AO 40;Annulex PBA 15;Antioxidant BBM;BBM-S;DH 26;Lowinox44B25;Mark AO 40;NS 30;NSC 67485;Noclizer NS 30;Nocrac NS 30;SWP (antioxidant);Santowhite;Santowhite AW 300;Santowhite Powder;Selosol G 969;Sumilizer BBM-S;4,4'-Butylidenebis(6-tert-butyl-3-methylphenol); |
4,4'-Butylidenebis(6-tert-butyl-3-methylphenol) Consensus Reports
4,4'-Butylidenebis(6-tert-butyl-3-methylphenol) Specification
The 4,4'-Butylidenebis(6-tert-butyl-3-methylphenol), with the CAS registry number 85-60-9, is also known as 1,1-Bis(3-tert-butyl-6-methyl-4-hydroxyphenyl)butane. It belongs to the product category of Organics. Its EINECS number is 201-618-5. This chemical's molecular formula is C26H38O2 and molecular weight is 382.58. What's more, its systematic name is 4,4'-(1,1-Butanediyl)bis[5-methyl-2-(2-methyl-2-propanyl)phenol]. This chemical is uesd as antioxidant of synthetic and natural rubbers and latex. It can be prepared by condensation reaction between 5-methyl-2-tert-butylhydroquinone and butyraldehyde. The 4,4'-Butylidenebis(6-tert-butyl-3-methylphenol) 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. When using it, you need to wear suitable protective clothing, gloves and eye/face protection.
Physical properties of 4,4'-Butylidenebis(6-tert-butyl-3-methylphenol) are:
(1)ACD/LogP: 7.03 # of Rule of 5 Violations: 1; (2)ACD/LogD (pH 5.5): 7.03; (3)ACD/LogD (pH 7.4): 7.03; (4)ACD/BCF (pH 5.5): 129582.50; (5)ACD/BCF (pH 7.4): 129466.50; (6)ACD/KOC (pH 5.5): 158904.80; (7)ACD/KOC (pH 7.4): 158762.50; (8)#H bond acceptors: 2; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 8; (11)Polar Surface Area: 40.46 Å2; (12)Index of Refraction: 1.539; (13)Molar Refractivity: 119.656 cm3; (14)Molar Volume: 381.889 cm3; (15)Polarizability: 47.435×10-24cm3; (16)Surface Tension: 36.35 dyne/cm; (17)Density: 1.002 g/cm3; (18)Flash Point: 196.835 °C; (19)Enthalpy of Vaporization: 76.724 kJ/mol; (20)Boiling Point: 475.497 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Oc1cc(c(cc1C(C)(C)C)C(c2cc(c(O)cc2C)C(C)(C)C)CCC)C
(2)Std. InChI: InChI=1S/C26H38O2/c1-10-11-18(19-14-21(25(4,5)6)23(27)12-16(19)2)20-15-22(26(7,8)9)24(28)13-17(20)3/h12-15,18,27-28H,10-11H2,1-9H3
(3)Std. InChIKey: PFANXOISJYKQRP-UHFFFAOYSA-N
The toxicity data of 4,4'-Butylidenebis(6-tert-butyl-3-methylphenol) is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| rat | LDLo | oral | 17gm/kg (17000mg/kg) | Rubber Chemistry and Technology. Vol. 45, Pg. 627, 1972. |
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