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03762_FLUKA

03762_FLUKA

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Also known as: 2,6-di-tert-butyl-4-methylphenol, 128-37-0, Butylhydroxytoluene, 2,6-di-tert-butyl-p-cresol, 2,6-di-t-butyl-4-methylphenol, Ionol

Molecular Formula

C₁₅H₂₄O

Molecular Weight

220.35 g/mol

InChI Key

NLZUEZXRPGMBCV-UHFFFAOYSA-N

FDA UNII

1P9D0Z171K

A di-tert-butyl PHENOL with antioxidant properties.

1 2D Structure

03762_FLUKA

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2,6-ditert-butyl-4-methylphenol

2.1.2 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

2.1.3 InChI Key

NLZUEZXRPGMBCV-UHFFFAOYSA-N

2.1.4 Canonical SMILES

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

2.2 Other Identifiers

2.2.1 UNII

1P9D0Z171K

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 2,6 Di T Butyl 4 Methylphenol

2. 2,6 Di Tert Butyl 4 Methylphenol

3. 2,6 Di Tert Butyl P Cresol

4. 2,6-bis(1,1-dimethylethyl)-4-methylphenol

5. 2,6-di-t-butyl-4-methylphenol

6. 2,6-di-tert-butyl-4-methylphenol

7. 2,6-di-tert-butyl-p-cresol

8. 4 Methyl 2,6 Ditertbutylphenol

9. 4-methyl-2,6-ditertbutylphenol

10. Bht

11. Butylhydroxytoluene

12. Di Tert Butyl Methylphenol

13. Di-tert-butyl-methylphenol

14. Dibunol

15. Hydroxytoluene, Butylated

16. Ionol

17. Ionol (bht)

2.3.2 Depositor-Supplied Synonyms

1. 2,6-di-tert-butyl-4-methylphenol

2. 128-37-0

3. Butylhydroxytoluene

4. 2,6-di-tert-butyl-p-cresol

5. 2,6-di-t-butyl-4-methylphenol

6. Ionol

7. Bht

8. Dbpc

9. Dibunol

10. Stavox

11. Ionol Cp

12. Phenol, 2,6-bis(1,1-dimethylethyl)-4-methyl-

13. Impruvol

14. Kerabit

15. Topanol

16. Dalpac

17. Deenax

18. Ionole

19. Vianol

20. Antioxidant Kb

21. 3,5-di-tert-butyl-4-hydroxytoluene

22. 2,6-ditert-butyl-4-methylphenol

23. Antioxidant 4k

24. Sumilizer Bht

25. Topanol O

26. Topanol Oc

27. Vanlube Pc

28. Antioxidant Dbpc

29. Sustane Bht

30. Tenamene 3

31. Vanlube Pcx

32. Antioxidant 29

33. Antioxidant 30

34. Nonox Tbc

35. Tenox Bht

36. Chemanox 11

37. Ionol 1

38. Agidol

39. Catalin Cao-3

40. Advastab 401

41. Ionol (antioxidant)

42. Buks

43. Parabar 441

44. Paranox 441

45. 2,6-di-tert-butyl-4-cresol

46. Catalin Antioxydant 1

47. Antrancine 8

48. Butylated Hydroxytoluol

49. Vulkanox Kb

50. Di-tert-butyl-p-cresol

51. 2,6-bis(1,1-dimethylethyl)-4-methylphenol

52. Dibutylated Hydroxytoluene

53. Ional

54. Ao 4k

55. Cao 1

56. Cao 3

57. Di-tert-butyl-p-methylphenol

58. Fema No. 2184

59. O-di-tert-butyl-p-methylphenol

60. 4-methyl-2,6-tert-butylphenol

61. 2,6-di-tert-butyl-1-hydroxy-4-methylbenzene

62. 2,6-di-tert-butyl-p-methylphenol

63. Ao 29

64. Nci-c03598

65. 2,6-ditert-butyl-4-methyl-phenol

66. 2,6-di-t-butyl-p-cresol

67. 4-methyl-2,6-di-tert-butylphenol

68. Butyl Hydroxy Toluene

69. 2,6-di-terc.butyl-p-kresol

70. 4-hydroxy-3,5-di-tert-butyltoluene

71. P 21

72. Bht(food Grade)

73. 4-methyl-2,6-di-terc. Butylfenol

74. 2,6-di-tert-butyl-4-methyl-phenol

75. 1-hydroxy-4-methyl-2,6-di-tert-butylbenzene

76. Di-tert-butylcresol

77. Dbpc(technical Grade)

78. E321

79. P-cresol, 2,6-di-tert-butyl-

80. Nsc-6347

81. Chembl146

82. 2,6-ditertiary-butyl-p-cresol

83. Ins No.321

84. Chebi:34247

85. Ins-321

86. 1p9d0z171k

87. Butylated Hydroxytoluene (e 321)

88. 2,6-di-tert-butyl-4-methyl Phenol

89. Ncgc00091761-03

90. Tonarol

91. Dsstox_cid_216

92. Antioxidant Mpj

93. E-321

94. Antioxidant 4

95. Toxolan P

96. Alkofen Bp

97. Swanox Bht

98. Tenamen 3

99. Antox Qt

100. Antioxidant 264

101. Dsstox_rid_75440

102. Agidol 1

103. Dsstox_gsid_20216

104. Bht (food Grade)

105. Butylated Hydroxytoluene (nf)

106. Antioxidant T 501

107. Nocrac 200

108. Butylated Hydroxytoluene (bht)

109. Caswell No. 291a

110. Dbpc (technical Grade)

111. Butylated Hydroxytoluene [nf]

112. Annulex Bht

113. Aox 4k

114. Aox 4

115. Butylhydroxytoluenum

116. Mfcd00011644

117. Cas-128-37-0

118. Butylohydroksytoluenu

119. Ccris 103

120. Butylohydroksytoluenu [polish]

121. Ionol Cp-antioxidant

122. Di-tert-butyl-p-cresol (van)

123. Hsdb 1147

124. Bht 264

125. Nsc 6347

126. Einecs 204-881-4

127. 2,6-di-terc.butyl-p-kresol [czech]

128. Epa Pesticide Chemical Code 022105

129. 2,6-di-tert-butyl-4-methylhydroxybenzene

130. Popol

131. Unii-1p9d0z171k

132. Ai3-19683

133. 4-methyl-2,6-di-terc. Butylfenol [czech]

134. Lowinox Bht

135. Nipanox Bht

136. Bht Swanox

137. Bht, Food Grade

138. 4-methyl-2,6-di-t-butyl-phenol

139. Ionol Bht

140. Ralox Bht

141. 2, Food Grade

142. Butylated Hydroxytoluene [ban:nf]

143. 3im

144. Dibutyl-para-cresol

145. 2,6-bis(tert-butyl)-4-methylphenol

146. Butylated-hydroxytoluene

147. Spectrum_001790

148. Bht Fcc/nf

149. Specplus_000768

150. Methyldi-tert-butylphenol

151. Spectrum3_001849

152. Spectrum5_001612

153. Bht [inci]

154. Hydagen Deo (salt/mix)

155. Bht [fcc]

156. Ec 204-881-4

157. 2,6-di-butyl-para-cresol

158. 2.6-di-t-butyl-p-cresol

159. Schembl3950

160. 2,6-ditert-butyl-p-cresol

161. P-cresol,6-di-tert-butyl-

162. Di-tert-butylparamethylphenol

163. Bspbio_003238

164. Kbioss_002281

165. 2,6-di-tert.butyl-p-cresol

166. Di-tert-butyl-4-methylphenol

167. Mls000069425

168. Bidd:er0031

169. Divk1c_006864

170. Spectrum1600716

171. 2,6-bis-tert-butyl-p-cresol

172. 2,6-di-tert-butyl-paracresol

173. Bht (butylated Hydroxytoluene)

174. 2,6-di-tert. Butyl-p-cresol

175. 2,6-di-tert.-butyl-p-cresol

176. 2,6-di-tert-butyl-para-cresol

177. 2,6-di-tert-butyl-methylphenol

178. 2,6-ditertbutyl-4-methylphenol

179. Dtxsid2020216

180. 2,6-di-t Butyl-4-methylphenol

181. 2.6-di-t-butyl-4-methylphenol

182. Fema 2184

183. Kbio1_001808

184. Kbio2_002280

185. Kbio2_004848

186. Kbio2_007416

187. Kbio3_002738

188. 2,6-di-tert-butyl-4-methylenol

189. 2,6-di-tert-butyl-4methylphenol

190. 2,6-di-tert-butyl4-methylphenol

191. 2,6-di-tertbutyl-4-methylphenol

192. 2,6-ditert.butyl-4-methylphenol

193. Butylated Hydroxyl Toluene (bht)

194. Nsc6347

195. 2,6-di(tert-butyl)hydroxytoluene

196. 2,6-di(t-butyl)-4-methylphenol

197. 2,6-di-t- Butyl-4-methylphenol

198. 2,6-di-t-butyl 4-methyl Phenol

199. 2,6-di-t-butyl-4-methyl Phenol

200. 2,6-di-t-butyl-4-methyl-phenol

201. 3,5-di-t-butyl-4-hydroxytoluene

202. Hms2091e21

203. Hms2231m22

204. Hms3369g17

205. Hms3750m21

206. Pharmakon1600-01600716

207. 2,1-dimethylethyl)-4-methylphenol

208. 2,6-di-tert-butyl 4-methylphenol

209. 2,6-di-tert-butyl-4 Methylphenol

210. 2,6-di-tert-butyl4-methyl Phenol

211. 2,6-di-tert.butyl-4-methylphenol

212. 2,6-ditert.-butyl-4-methylphenol

213. 2.6-di-tert-butyl-4-methylphenol

214. 4-methyl-2,6-di-tert.butylphenol

215. 2,6-di-ter-butyl-4-methyl-phenol

216. 2,6-di-tert.-butyl4-methylphenol

217. 2,6-ditertiarybutyl-4-methylphenol

218. 2.6-di- T-butyl- 4-methylphenol

219. Amy40200

220. Hy-y0172

221. Str04334

222. Zinc1481993

223. 2,6 -di-tert-butyl-4-methylphenol

224. 2,6-di(tert-butyl)-4-methylphenol

225. 2,6-di-tert-butyl-p-cresol, 8ci

226. 2,6-di-tert.-butyl-4-methylphenol

227. Tox21_113537

228. Tox21_201093

229. Tox21_303408

230. 2,6-di-tert-butyl-p-cresol (bht)

231. 2,6-di-tert-butyl-para-methylphenol

232. Bdbm50079507

233. Butylated Hydroxytoluene [ii]

234. Butylated Hydroxytoluene [mi]

235. Nsc759563

236. S6202

237. Stl277184

238. 2,6-di-tert. Butyl-4-methyl Phenol

239. 2,6-di-(tert-butyl)-4-methylphenol

240. Akos000269037

241. Tox21_113537_1

242. Butylated Hydroxytoluene [fhfi]

243. Butylated Hydroxytoluene [hsdb]

244. Butylated Hydroxytoluene [iarc]

245. Ccg-207937

246. Cs-w020053

247. Nsc-759563

248. Butylated Hydroxytoluene [mart.]

249. Butylated Hydroxytoluene [vandf]

250. Phenol, 2,6-di-tert-butyl-4-methyl-

251. Butylated Hydroxytoluene [usp-rs]

252. Butylated Hydroxytoluene [who-dd]

253. Butylated Hydroxytoluene [who-ip]

254. Ncgc00091761-01

255. Ncgc00091761-02

256. Ncgc00091761-04

257. Ncgc00091761-05

258. Ncgc00091761-06

259. Ncgc00091761-07

260. Ncgc00257275-01

261. Ncgc00258645-01

262. Ac-10553

263. Butylhydroxytoluene [ep Monograph]

264. Smr000059076

265. 2,6-di-tert-butyl-4-methylphenol, 99%

266. Butylhydroxytoluenum [who-ip Latin]

267. Sbi-0052890.p002

268. 2,6-di-tert-butyl-4-methylphenol, >=99%

269. Butylated Hydroxytoluene, >=99%, Fcc, Fg

270. D0228

271. Ft-0610731

272. Phenol,6-bis(1,1-dimethylethyl)-4-methyl-

273. 2,6-bis-(1,1-dimethylethyl)-4-methylphenol

274. 4-methyl-2,6- Di(1,1-dimethylethyl)phenol

275. 4-methyl-2,6-ditertiary-butyl-phenol

276. Pk04_181024

277. 2,6-di-tert-butyl-1-hydroxy-4-methyl Benzene

278. D02413

279. D77866

280. Mls-0146297.0001

281. Ab00053233_09

282. Phenol, 3,5-bis(1,1-dimethylethyl)-4-methyl-

283. 2,6-bis(1,1-dimethylethyl)-4-methylphenol, 9ci

284. 2,6-di-tert-butyl-4-methylphenol, Puriss., 99%

285. A937188

286. Ac-907/25014329

287. Q221945

288. Sr-01000735918

289. Sr-01000735918-2

290. W-108376

291. 9fc4dfc8-480d-487c-a74a-2ec9eece92c4

292. Benzene,1,3-ditert.butyl,2-hydroxy,5-methyl

293. Brd-k53153417-001-01-3

294. Brd-k53153417-001-06-2

295. 2,6-d[(ch3)3c]2c6h2(ch3)ohi-tert-butyl-p-cresol

296. F0001-0395

297. Z955123624

298. 2,6-di-tert-butyl-4-methylphenol, Purum, >=99.0% (gc)

299. Wln: 1x1 & 1 & R Bq E1 Cx1 & 1 & 1

300. 2,6-di-tert-butyl-4-methylphenol, >=99.0% (gc), Powder

301. 2,6-di-tert-butyl-4-methylphenol, Saj First Grade, >=99.0%

302. 2,6-di-tert-butyl-4-methylphenol, Tested According To Ph.eur.

303. 2,6-di-tert.-butyl-4-methylphenol 100 Microg/ml In Methanol

304. 3,5-di-tert-4-butylhydroxytoluene (bht), Analytical Standard

305. 2,6-di-tert-butyl-4-methylphenol 1000 Microg/ml In Acetonitrile

306. Butylhydroxytoluene, European Pharmacopoeia (ep) Reference Standard

307. 2,6-di-tert-butyl-4-methylphenol, Certified Reference Material, Tracecert(r)

308. 2,6-di-tert-butyl-p-cresol2,6-bis(1,1-dimethylethyl)-4-methyl-phenol

309. Butylated Hydroxytoluene, Pharmaceutical Secondary Standard; Certified Reference Material

310. Butylated Hydroxytoluene, United States Pharmacopeia (usp) Reference Standard

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₁₅H₂₄O
Molecular Weight	220.35 g/mol
XLogP3	5.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	220.182715385 g/mol
Monoisotopic Mass	220.182715385 g/mol
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	207
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

4 Pharmacology and Biochemistry

4.1 MeSH Pharmacological Classification

Antioxidants

Naturally occurring or synthetic substances that inhibit or retard oxidation reactions. They counteract the damaging effects of oxidation in animal tissues. (See all compounds classified as Antioxidants.)