Chemical Properties of Butylated Hydroxytoluene (CAS 128-37-0)

InChI

InChI=1S/C15H24O/c1-10-8-11(14(2,3)4)13(16)12(9-10)15(5,6)7/h8-9,16H,1-7H3

InChI Key

NLZUEZXRPGMBCV-UHFFFAOYSA-N

Formula

C15H24O

SMILES

Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1

Molecular Weight¹

220.35

CAS

128-37-0

Other Names

• 1-Hydroxy-4-methyl-2,6-di-tert-butylbenzene
• 2,6-BIS(1,1-DIMETHYLETHYL)-4METHYLPHENOL
• 2,6-Bis(1,1-dimethylethyl)-4-methylphenol
• 2,6-Bis(tert-butyl)-4-methylphenol
• 2,6-Di(tert-butyl)hydroxytoluene
• 2,6-Di-t-butyl-4-methylphenol
• 2,6-Di-t-butyl-p-cresol
• 2,6-Di-terc.butyl-p-kresol
• 2,6-Di-tert-butyl-1-hydroxy-4-methyl benzene
• 2,6-Di-tert-butyl-4-cresol
• 2,6-Di-tert-butyl-4-methylphenol
• 2,6-Di-tert-butyl-p-cresol
• 2,6-Di-tert-butyl-p-methylphenol
• 2,6-Di-tert-butyl-para-methylphenol
• 2,6-di-Butyl-para-cresol
• 2,6-di-ter-butul-4-methyl-phenol
• 2,6-di-ter-butyl-4-methyl-phenol
• 2,6-di-tert-Butyl-methylphenol
• 2,6-di-tert-butyl-p-cresol (BHT)
• 3,5-Di-tert-butyl-4-hydroxytoluene
• 4-Hydroxy-3,5-di-tert-butyltoluene
• 4-Methyl-2,6-di-t-butyl-phenol
• 4-Methyl-2,6-di-terc. butylfenol
• 4-Methyl-2,6-di-tert-butylphenol
• 4-Methyl-2,6-di-tert.-butylphenol
• 4-Methyl-2,6-tert-butylphenol
• AO 29
• AO 4K
• Advastab 401
• Agidol
• Annulex BHT
• Antioxidant 29
• Antioxidant 30
• Antioxidant 4K
• Antioxidant DBPC
• Antioxidant KB
• Antrancine 8
• BHT
• BHT (butylated hydroxytoluene)
• BHT Swanox
• BUKS
• Bht(food grade)
• Butylated hydroxyl toluene (BHT)
• Butylated hydroxytoluol
• Butylhydroxytoluene
• CAO 1
• CAO 3
• Catalin Antioxydant 1
• Catalin CAO-3
• Chemanox 11
• DBMP
• DBPC
• Dalpac
• Dbpc(technical grade)
• Deenax
• Di-ter-butyl p-cresol
• Di-tert-Butyl-4-methylphenol
• Di-tert-Butylparamethylphenol
• Di-tert-butyl-p-cresol
• Di-tert-butyl-p-methylphenol
• Di-tert-butylcresol
• Dibunol
• Dibutyl-p-cresol
• Dibutylated hydroxytoluene
• Dibutylcresol
• Dibutylhydroxytoluene
• Ergotamine, dihydro-, monomethanesulfonate (salt)
• Impruvol
• Ionol
• Ionol (Antioxidant)
• Ionol 1
• Ionol BHT
• Ionol CP
• Ionole
• Lowinox BHT
• NCI-C03598
• Nipanox BHT
• Nonox TBC
• P 21
• Parabar 441
• Paranox 441
• Phenol, 2,6-bis(1,1-dimethylethyl)-4-methyl-
• Phenol, 2,6-di-tert-butyl-4-methyl-
• Ralox BHT
• Stavox
• Sumilizer BHT
• Sustane
• Sustane BHT
• Tenamene 3
• Tenox BHT
• Topanol
• Topanol O
• Topanol OC
• Vanlube PC
• Vanlube PCX
• Vianol
• Vulkanox KB
• butylated OH tolueno
• o-Di-tert-butyl-p-methylphenol
• p-Cresol, 2,6-di-tert-butyl-

• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fH°_solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• Δ_subH° : Enthalpy of sublimation at standard conditions (kJ/mol).
• Δ_subH : Enthalpy of sublimation at a given temperature (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• Δ_vapH : Enthalpy of vaporization at a given temperature (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• P_vap : Vapor pressure (kPa).
• I_np : Non-polar retention indices.
• I_p : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔcH°solid	-8916.00	kJ/mol	NIST
ΔfH°gas	-296.90	kJ/mol	NIST
ΔfH°solid	-410.00	kJ/mol	NIST
ΔfusH°	18.82	kJ/mol	Joback Calculated Property
ΔsubH°	[88.00; 117.30]	kJ/mol
ΔsubH°	91.90 ± 3.20	kJ/mol	NIST
ΔsubH°	88.00 ± 0.80	kJ/mol	NIST
ΔsubH°	117.30	kJ/mol	NIST
ΔsubH°	113.10	kJ/mol	NIST
ΔvapH°	77.83	kJ/mol	Relay (1.0) Calculated Property
IE	7.80	eV	NIST
log10WS	-4.87		Relay (1.0) Calculated Property
logPoct/wat	4.296		Crippen Calculated Property
McVol	204.320	ml/mol	McGowan Calculated Property
Pc	2123.64	kPa	Joback Calculated Property
Inp	[1471.00; 1555.00]
Inp	1514.00		NIST
Inp	1513.00		NIST
Inp	1505.00		NIST
Inp	1500.00		NIST
Inp	1501.00		NIST
Inp	1499.00		NIST
Inp	1497.00		NIST
Inp	1494.00		NIST
Inp	1490.00		NIST
Inp	1533.30		NIST
Inp	1517.50		NIST
Inp	1514.00		NIST
Inp	1518.00		NIST
Inp	1505.00		NIST
Inp	1503.90		NIST
Inp	1513.00		NIST
Inp	1515.00		NIST
Inp	1494.50		NIST
Inp	1489.00		NIST
Inp	1504.00		NIST
Inp	Outlier 1471.00		NIST
Inp	1508.00		NIST
Inp	1483.00		NIST
Inp	1488.00		NIST
Inp	1519.00		NIST
Inp	1512.00		NIST
Inp	1511.00		NIST
Inp	1504.00		NIST
Inp	1505.00		NIST
Inp	1519.00		NIST
Inp	1492.00		NIST
Inp	1509.00		NIST
Inp	1510.00		NIST
Inp	1508.00		NIST
Inp	1512.00		NIST
Inp	1516.00		NIST
Inp	1508.00		NIST
Inp	1512.00		NIST
Inp	1516.00		NIST
Inp	Outlier 1545.00		NIST
Inp	1524.00		NIST
Inp	1496.00		NIST
Inp	1501.00		NIST
Inp	1538.00		NIST
Inp	1525.00		NIST
Inp	1513.00		NIST
Inp	1488.00		NIST
Inp	Outlier 1474.00		NIST
Inp	1499.00		NIST
Inp	1504.00		NIST
Inp	1512.00		NIST
Inp	Outlier 1555.00		NIST
Inp	1513.00		NIST
Inp	1514.00		NIST
Inp	1513.00		NIST
Inp	1515.00		NIST
Inp	1518.00		NIST
Inp	1493.00		NIST
Inp	1497.00		NIST
Inp	1526.00		NIST
Inp	1518.00		NIST
Inp	1494.00		NIST
Inp	1534.00		NIST
Inp	1490.00		NIST
Inp	1514.00		NIST
Ip	[1867.00; 1927.00]
Ip	Outlier 1870.00		NIST
Ip	Outlier 1873.00		NIST
Ip	1919.00		NIST
Ip	1919.00		NIST
Ip	1898.00		NIST
Ip	1898.00		NIST
Ip	1920.00		NIST
Ip	1920.00		NIST
Ip	1906.00		NIST
Ip	1921.00		NIST
Ip	1927.00		NIST
Ip	1910.00		NIST
Ip	1910.00		NIST
Ip	1902.00		NIST
Ip	1902.00		NIST
Ip	1910.00		NIST
Ip	1920.00		NIST
Ip	1905.00		NIST
Ip	1905.00		NIST
Ip	1914.00		NIST
Ip	1911.00		NIST
Ip	Outlier 1867.00		NIST
Ip	1909.00		NIST
Ip	1912.00		NIST
Ip	1910.00		NIST
Ip	1910.00		NIST
Ip	1902.00		NIST
Ip	1927.00		NIST
Ip	1927.00		NIST
Ip	1905.00		NIST
Ip	1916.00		NIST
Ip	Outlier 1870.00		NIST
Ip	1902.00		NIST
Ip	1919.00		NIST
Ip	1920.00		NIST
Ip	1910.00		NIST
Tboil	538.20	K	NIST
Tc	771.39	K	Relay (1.0) Calculated Property
Tfus	[342.86; 344.15]	K
Tfus	344.15	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus	344.00 ± 0.20	K	NIST
Tfus	342.86 ± 0.25	K	NIST
Tfus	343.00 ± 0.15	K	NIST

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
ΔfusH	[19.85; 23.85]	kJ/mol	[341.70; 343.70]
ΔfusH	19.85	kJ/mol	341.70	NIST
ΔfusH	23.85	kJ/mol	343.70	NIST
ΔsubH	[86.80; 87.80]	kJ/mol	[318.00; 323.00]
ΔsubH	86.80 ± 0.80	kJ/mol	318.00	NIST
ΔsubH	87.80	kJ/mol	323.00	NIST
ΔvapH	[61.50; 87.80]	kJ/mol	[323.00; 447.00]
ΔvapH	87.80	kJ/mol	323.00	NIST
ΔvapH	61.50	kJ/mol	447.00	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[285.50; 693.94]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-7.39200e+01
Coefficient B			1.63724e+00
Coefficient C			-1.28928e-03
Coefficient D			4.19900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	285.50	J/mol×K	273.00	Calculated Property
Cp,gas	362.53	J/mol×K	353.78	Calculated Property
Cp,gas	428.54	J/mol×K	434.56	Calculated Property
Cp,gas	484.88	J/mol×K	515.33	Calculated Property
Cp,gas	532.86	J/mol×K	596.11	Calculated Property
Cp,gas	573.82	J/mol×K	676.89	Calculated Property
Cp,gas	609.07	J/mol×K	757.67	Calculated Property
Cp,gas	639.96	J/mol×K	838.44	Calculated Property
Cp,gas	667.81	J/mol×K	919.22	Calculated Property
Cp,gas	693.94	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0085167; 0.0000214]	Pa×s	[343.50; 616.28]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.82958e+01
Coefficient B			4.64760e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			343.50
Temperature range, max.			616.28
η	0.0085167	Pa×s	343.50	Calculated Property
η	0.0028434	Pa×s	373.81	Calculated Property
η	0.0011191	Pa×s	404.12	Calculated Property
η	0.0005017	Pa×s	434.43	Calculated Property
η	0.0002497	Pa×s	464.74	Calculated Property
η	0.0001354	Pa×s	495.05	Calculated Property
η	0.0000788	Pa×s	525.36	Calculated Property
η	0.0000486	Pa×s	555.66	Calculated Property
η	0.0000315	Pa×s	585.97	Calculated Property
η	0.0000214	Pa×s	616.28	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.63]	kPa	[412.92; 567.92]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.57262e+01
Coefficient B			-4.96090e+03
Coefficient C			-9.15900e+01
Temperature range, min.			412.92
Temperature range, max.			567.92
Pvap	1.33	kPa	412.92	Calculated Property
Pvap	2.92	kPa	430.14	Calculated Property
Pvap	5.94	kPa	447.36	Calculated Property
Pvap	11.31	kPa	464.59	Calculated Property
Pvap	20.35	kPa	481.81	Calculated Property
Pvap	34.83	kPa	499.03	Calculated Property
Pvap	57.07	kPa	516.25	Calculated Property
Pvap	89.98	kPa	533.48	Calculated Property
Pvap	137.10	kPa	550.70	Calculated Property
Pvap	202.63	kPa	567.92	Calculated Property
Pvap	[0.04; 2131.09]	kPa	[344.00; 720.00]	KDB Vapor Pressure Data
Equation			ln(Y) = A + B/T + C·ln(T) + D·T² + E/T² Y is Pvap in kPa, T in K
Coefficient A			1.61940e+02
Coefficient B			-1.50684e+04
Coefficient C			-2.09800e+01
Coefficient D			9.03774e-06
Coefficient E			0.00000e+00
Temperature range, min.			344.00
Temperature range, max.			720.00
Pvap	0.04	kPa	344.00	Calculated Property
Pvap	0.49	kPa	385.78	Calculated Property
Pvap	3.49	kPa	427.56	Calculated Property
Pvap	15.97	kPa	469.33	Calculated Property
Pvap	53.30	kPa	511.11	Calculated Property
Pvap	142.17	kPa	552.89	Calculated Property
Pvap	322.71	kPa	594.67	Calculated Property
Pvap	652.27	kPa	636.44	Calculated Property
Pvap	1213.66	kPa	678.22	Calculated Property
Pvap	2131.09	kPa	720.00	Calculated Property
Pvap	[0.13; 101.05]	kPa	[359.00; 535.70]	NIST
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.62347e+01
Coefficient B			-5.64516e+03
Coefficient C			-4.98460e+01
Reference			Stull, 1947
Comment			Coefficents calculated by NIST from author's data.
Temperature range, min.			359.00
Temperature range, max.			535.70
Pvap	0.13	kPa	359.00	Calculated Property
Pvap	0.39	kPa	378.63	Calculated Property
Pvap	1.03	kPa	398.27	Calculated Property
Pvap	2.45	kPa	417.90	Calculated Property
Pvap	5.33	kPa	437.53	Calculated Property
Pvap	10.76	kPa	457.17	Calculated Property
Pvap	20.34	kPa	476.80	Calculated Property
Pvap	36.38	kPa	496.43	Calculated Property
Pvap	61.95	kPa	516.07	Calculated Property
Pvap	101.05	kPa	535.70	Calculated Property

Similar Compounds

Find more compounds similar to Butylated Hydroxytoluene.

Sources

• KDB Vapor Pressure Data
• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• KDB
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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