CAS No.85-60-9,4,4'-Butylidenebis(6-tert-butyl-3-methylphenol) Suppliers

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Basic Information

Molecular Structure:
CAS No.:	85-60-9
Name:	4,4'-Butylidenebis(6-tert-butyl-3-methylphenol)

Formula:	C₂₆H₃₈O₂
Molecular Weight:	382.587
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);
EINECS:	201-618-5
Density:	1.002 g/cm³
Melting Point:	211°C
Boiling Point:	475.497 °C at 760 mmHg
Flash Point:	196.835 °C
Solubility:	4μg/L at 20℃
Appearance:	White to off white powder
Risk Codes:	36/37/38
Safety:	26-36/37/39
PSA:	40.46000
LogP:	7.24160

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Consensus Reports

Reported in EPA TSCA Inventory.

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.