CAS No.: 128-37-0 — Butylated Hydroxytoluene (-)

1. Primary Information

English name:	Butylated Hydroxytoluene
CAS No.:	128-37-0
Molecular formula:	C₁₅H₂₄O
Molecular weight:	220.35 g/mol
SMILES:	CC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C
Structural class:
Other identifiers:	2,6 Di t butyl 4 methylphenol 2,6 Di tert butyl 4 methylphenol 2,6 Di tert butyl p cresol 2,6-Bis(1,1-dimethylethyl)-4-methylphenol 2,6-Di-t-butyl-4-methylphenol

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	250mg	HPLC≥98%	216	2-8℃	in stock	-
Kehua Intelligence	1.2ml	100μg/ml in Ethanol	64	2-8℃,避光	in stock	-
Kehua Intelligence	1.2ml	1000 μg/mL in Ethanol	179	2-8℃,避光	in stock	-
Kehua Intelligence	100g	98%	24	2-8℃	in stock	-
Kehua Intelligence	500g	98%	52	2-8℃	in stock	-
Kehua Intelligence	5*500g	98%	192	2-8℃	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 40 40 0 0 0 0 0 0 0999 V2000 0.0079 -1.9528 -0.0005 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5157 -0.6433 0.0011 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5068 -0.5969 -0.0025 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1805 0.1195 0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1968 0.1198 -0.0018 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0047 -0.5887 -0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2319 1.4923 -0.0006 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1838 1.5146 -0.0026 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6879 0.3616 0.0011 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6068 -1.5297 1.2621 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7079 -1.5687 -1.2217 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5070 -1.9923 0.7039 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0017 -0.8662 -1.4567 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6063 0.2376 0.7231 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0305 2.2009 -0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0443 3.6922 -0.0027 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1329 2.0904 -0.0043 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0930 2.1046 -0.0334 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7145 0.9835 -0.9019 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7037 0.9949 0.8966 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6437 -0.1797 0.0141 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9229 -2.3824 1.2564 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6157 -1.9476 1.3668 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4027 -0.9472 2.1687 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0011 -2.4024 -1.2484 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5837 -1.0072 -2.1552 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7124 -2.0084 -1.2299 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5334 -2.3099 0.9302 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9732 -1.9611 1.6607 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1098 -2.8008 0.0833 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1163 0.0724 -2.0117 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9714 -1.3768 -1.4592 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2900 -1.4879 -2.0116 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5299 -0.3429 0.8400 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8984 1.1317 0.1617 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2837 0.5402 1.7263 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8758 4.0777 0.5971 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1445 4.0662 -1.0265 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8759 4.1009 0.4287 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3642 -2.2241 -0.8650 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 40 1 0 0 0 0 2 4 1 0 0 0 0 2 9 1 0 0 0 0 2 10 1 0 0 0 0 2 11 1 0 0 0 0 3 5 1 0 0 0 0 3 12 1 0 0 0 0 3 13 1 0 0 0 0 3 14 1 0 0 0 0 4 6 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 8 2 0 0 0 0 7 15 2 0 0 0 0 7 17 1 0 0 0 0 8 15 1 0 0 0 0 8 18 1 0 0 0 0 9 19 1 0 0 0 0 9 20 1 0 0 0 0 9 21 1 0 0 0 0 10 22 1 0 0 0 0 10 23 1 0 0 0 0 10 24 1 0 0 0 0 11 25 1 0 0 0 0 11 26 1 0 0 0 0 11 27 1 0 0 0 0 12 28 1 0 0 0 0 12 29 1 0 0 0 0 12 30 1 0 0 0 0 13 31 1 0 0 0 0 13 32 1 0 0 0 0 13 33 1 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 15 16 1 0 0 0 0 16 37 1 0 0 0 0 16 38 1 0 0 0 0 16 39 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

2,6-ditert-butyl-4-methylphenol

4.2 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

4.3 InChIKey

NLZUEZXRPGMBCV-UHFFFAOYSA-N

4.4 Canonical SMILES

CC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C

4.5 Isomeric SMILES

4.6 SDF file

Coming soon

5. Spectroscopic data

5.1 ¹³C nuclear magnetic resonance (¹³C NMR)

5.2 ¹H nuclear magnetic resonance (¹H NMR)

5.3 Mass spectrometry (MS)

Coming soon

5.4 Infrared spectroscopy (IR)

Coming soon

5.5 Ultraviolet/visible spectroscopy (UV/Vis)

Coming soon

1. Primary Information

2. Suppliers & Pricing

3. Structures

3.1 2D structure

3.2 3D structure

4. International Nomenclature & Identifiers

4.1 IUPAC Name

4.2 InChI

4.3 InChIKey

4.4 Canonical SMILES

4.5 Isomeric SMILES

4.6 SDF file

5. Spectroscopic data

5.1 13C nuclear magnetic resonance (13C NMR)

5.2 1H nuclear magnetic resonance (1H NMR)

5.3 Mass spectrometry (MS)

5.4 Infrared spectroscopy (IR)

5.5 Ultraviolet/visible spectroscopy (UV/Vis)

5.1 ¹³C nuclear magnetic resonance (¹³C NMR)

5.2 ¹H nuclear magnetic resonance (¹H NMR)