CAS号:128-37-0-- - Butylated Hydroxytoluene-科华智慧

1. 主信息

英文名:	Butylated Hydroxytoluene
中文名:	-
CAS编号:	128-37-0
化学分子式：	C₁₅H₂₄O
化学分子量：	220.35 g/mol
SMILES：	CC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C
来源：	合成化合物
结构类型：	-
其它名称或标识：	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. 供应商与价格

供应商	包装规格	含量	价格(元)	环境要求	货期	说明
科华智慧	250mg	HPLC≥98%	216	2-8℃	现货	-
科华智慧	1.2ml	100μg/ml in Ethanol	64	2-8℃,避光	现货	-
科华智慧	1.2ml	1000 μg/mL in Ethanol	179	2-8℃,避光	现货	-
科华智慧	100g	98%	24	2-8℃	现货	-
科华智慧	500g	98%	52	2-8℃	现货	-
科华智慧	5*500g	98%	192	2-8℃	现货	-

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3. 结构

3.1 二维结构

3.2 三维结构

-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

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4. 国际命名与标识

4.1 IUPAC Name

2,6-ditert-butyl-4-methylphenol

4.2 InChl

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 InChlKey

NLZUEZXRPGMBCV-UHFFFAOYSA-N

4.4 Canonical SMILES

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

4.5 lsomeric SMILES

4.6 SDF文件

补充中

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5. 波谱数据

5.1 ¹³C核磁共振谱(¹³C NMR)

5.2 ¹H核磁共振谱(¹H NMR)

5.3 质谱(MS)

补充中

5.4 红外光谱(IR)

补充中

5.5 紫外/可见光谱(UV/Vis)

补充中

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6. 相关药材

中文名称	英文名称	拉丁文名称
巴戟天	Morindae Officilis Radix	-
白鬼笔	Stinking Polecat, Wood Witch	Phallus impudicus
北沙参	root of Coastal Glehnia	Radix Glehniae
槟榔	areca seed	semen arecae
薄荷	Mentha, Peppermint	herba Menthae
苍术	Rhizome of Swordlike Atractylodes	Rhizoma Atractylodis
沉香	Oily wood of Agalloch Eaglewood	Lignum Aquilariae Resitum
赤芍	Red Peony root	Radix Paeoniae Rubra
葱白	Allium bulb, Wild scallion, Chinese green onion	Bulbus Allii Fistulosi
大果大戟	Largefruit Euphorbia	Euphorbia wallichii

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7. 相关靶点

基因靶点

靶点位置

参考文献

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8. 相关疾病

疾病名称

疾病类型