2,6-二叔丁基对甲酚, BHT 2,6-二叔丁基-4-甲基苯酚

CAS 128-37-0 MFCD00011644

化学结构图

128-37-0
SMILES: Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1

化学属性

Mol. FormulaC15H24O
Mol. Weight220.36
Boiling Point265°C at 760 mmHg
Melting Point69-73°C
Density1.048
Flash Point127°C
TSCAYes
Autoignition Point878 °F
Vapor Density7.6 (vs air)
Vapor Pressure<;0.01 mmHg ( 20 °C)
SolubilitySoluble in ethanol (100 mg/ml), chloroform, DMSO (≥30 mg/ml), and DMF (≥ 30 mg/ml). Insoluble in water(0.6 mg/ml).
Refractive index1.4859

别名和识别编码

Chemical Name2,6-二叔丁基对甲酚, BHT
CAS Number128-37-0
Synonym Butylated hydroxytoluene {LY} Butylated hydroxytoluene {} {LY} Butylated hydroxytoluene {} {} {LY} Butylated hydroxytoluene {} {} {} {LY} Butylated hydroxytoluene {} {} {} {} {LY} Butylated hydroxytoluene {} {} {} {} {} {LY} Butylated hydroxytoluene {} {} {} {} {} {} {LY} Butylated hydroxytoluene {} {} {} {} {} {} {} {LY} Butylated hydroxytoluene {} {} {} {} {} {} {} {} {LY} Butylated hydroxytoluene {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Butylated hydroxytoluene {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Butylated hydroxytoluene {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Butylated hydroxytoluene {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Butylated hydroxytoluene {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Butylated hydroxytoluene {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Butylated hydroxytoluene {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
PubChem Substance ID31404
EC Number204-881-4
Beilstein Registry Number1911640
MDL NumberMFCD00011644
Reaxys-RN1911640
Merck Number1548
Chemical Name Translation2,6-二叔丁基-4-甲基苯酚
Wiswesser Line Notation1X1&1&R BQ E1 CX1&1&1
LabNetwork Molecule IDLN00193652
InChIInChI=1S/C15H24O/c1-10-8-11(14(2,3)4)13(16)12(9-10)15(5,6)7/h8-9,16H,1-7H3
Canonical SMILESOC1=C(C(C)(C)C)C=C(C)C=C1C(C)(C)C
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分类

  • {SNA} Bioactive Small Molecules, Build
  • {SNA} Additional Standards, Analytical Standards, Antioxidants, Antioxidants & Preservatives, Chromatography, E numbers (Food Additives), E300&#x2013;E399 (antioxidants, acidity regulators), E321, Food & Beverage Standards, Food and Cosmetic Component Standards, Pharmaceutical Secondary Standards, Pharmaceutical Standards, Pharmacopeia Metrological Institutes Standards, Secondary Standards, Standards for Personal Care and Cosmetic Products, Trigger for Food Allergies & Intolerances, 分析/色谱
  • {SNA} Building Blocks, C9 to C20+, Chemical Synthesis, Organic Building Blocks, Oxygen Compounds,
  • {SNA} A-B, A-D,

产品应用

  • 有机合成。抗氧剂

相关文献及参考

  • Short: II/27B
  • Radical inhibitor and antioxidant, readily soluble in nonpolar media. Finds widespread use in the inhibition of peroxide formation in ether solvents and also as a preservative/ antioxidant for unsaturated oils and fats in the food, synthetic rubber and paint industries.
  • Source of t-butyl group in aromatic substitution reactions. For reviews of the use of t-butyl as a positional protecting group for aromatic substitution reactions, readily removable with, e.g. AlCl 3 in toluene, see: Org. Prep. Proced. Int., 8, 51 (1976); Synthesis, 921 (1979).
  • Beilstein:6(3)2073

安全信息

GHS Symbol
WGK Germany1
Hazard Codes 9
Hazard statements
  • H315 Causes skin irritation 会刺激皮肤
  • H411 Toxictoaquaticlifewithlonglastingeffects 对水生生物有毒性并具有长期影响。
  • H302 Harmful if swallowed 吞食有害
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H410 Verytoxictoaquaticlifewithlonglastingeffects 对水生生物毒性非常大并具有长期影响。
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves
RTECSGO7875000
Precautionary statements
  • P201 Obtain special instructions before use. 使用前获取专门指示。
  • P202 Do not handle until all safety precautions have been read and understood. 已阅读并理解所有的安全预防措施之前,切勿操作。
  • P260 Do not breathe dust/fume/gas/mist/vapours/spray. 不要吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P270 Do not eat, drink or smoke when using this product. 使用本产品时不要吃东西,喝水或吸烟。
  • P273 Avoid release to the environment. 避免释放到环境中。
  • P280 Wear protective gloves/protective clothing/eye protection/face protection. 戴防护手套/防护服/眼睛的保护物/面部保护物。
  • P301+P312+P330
  • P302+P352
  • P305+P351+P338
  • P305+P351+P338+P337+P313
  • P308+P311
  • P391 Collect spillage. Hazardous to the aquatic environment 收集对水环境有危害的泄漏物。
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Signal word Warning
Safety Statements
  • S26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 眼睛接触后,立即用大量水冲洗并征求医生意见;
  • S29 Do not empty into drains 不要排入下水道;
  • S37/39 Wear suitable gloves and eye/face protection 穿戴适当的手套和眼睛/面保护;
  • S57 Use appropriate containment to avoid environmental contamination 使用适当容器避免环境污染;
Risk Statements
  • R22 Harmful if swallowed 吞咽有害
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
  • R50/53
UN Number 3077 UN3077
Packing GroupIII
Storage condition RT, stored under nitrogen {LY} RT, stored under nitrogen {} {LY} RT, stored under nitrogen {} {} {LY} RT, stored under nitrogen {} {} {} {LY} RT, stored under nitrogen {} {} {} {} {LY} RT, stored under nitrogen {} {} {} {} {} {LY} RT, stored under nitrogen {} {} {} {} {} {} {LY} RT, stored under nitrogen {} {} {} {} {} {} {} {LY} RT, stored under nitrogen {} {} {} {} {} {} {} {} {LY} RT, stored under nitrogen {} {} {} {} {} {} {} {} {} {LY} RT, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {LY} RT, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {LY} RT, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {LY} RT, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} RT, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} RT, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} RT, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
Hazard Class9
TYPE OF TEST            : TD - Toxic dose (other than lowest)
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 963 gm/kg
TOXIC EFFECTS :
   Tumorigenic - Carcinogenic by RTECS criteria
   Gastrointestinal - tumors
REFERENCE :
   FCTOD7 Food and Chemical Toxicology.  (Pergamon Press Inc., Maxwell House,
   Fairview Park, Elmsford, NY 10523)  V.20-    1982- Volume(issue)/page/year:
   24,1071,1986

TYPE OF TEST            : TD - Toxic dose (other than lo

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 134 gm/kg/32W-C
TOXIC EFFECTS :
   Tumorigenic - Carcinogenic by RTECS criteria
   Kidney, Ureter, Bladder - tumors
   Tumorigenic - cells (cultured) transformed
REFERENCE :
   CRNGDP Carcinogenesis (London). (Oxford Univ. Press, Pinkhill House,
   Southfield Road, Eynsham, Ox

TYPE OF TEST

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 435 mg/kg/69W-C
TOXIC EFFECTS :
   Tumorigenic - Carcinogenic by RTECS criteria
   Lungs, Thorax, or Respiration - tumors
   Gastrointestinal - tumors
REFERENCE :
   FCTXAV Food and Cosmetics Toxicology.  (London, UK)  V.1-19, 1963-81.  For
   publisher information, see FCTOD7.  Volume(issue)/page/year: 12,367,1974

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 134 gm/kg/32W-C
TOXIC EFFECTS :
   Tumorigenic - Carcinogenic by RTECS criteria
   Kidney, Ureter, Bladder - tumors
   Tumorigenic - cells (cultured) transformed
REFERENCE :
   CRNGDP Carcinogenesis (London). (Oxford Univ. Press, Pinkhill House,
   Southfield Road, Eynsham, Oxford OX8 1JJ, UK

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Mammal - cat
DOSE/DURATION           : 940 mg/kg
TOXIC EFFECTS :
   Gastrointestinal - hypermotility, diarrhea
   Behavioral - tremor
   Lungs, Thorax, or Respiration - respiratory depression
REFERENCE :
   AMIHAB AMA Archives of Industrial Health.  (Chicago, IL)  V.11-21, 1955-60.
   For publisher information, see AEHLAU.  Volume(issue)/page/year: 11,93,1955

TYPE OF TEST            : LD50 - Lethal

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 180 mg/kg
TOXIC EFFECTS :
   Behavioral - sleep
REFERENCE :
   JMCMAR Journal of Medicinal Chemistry.  (American Chemical Soc.,
   Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC
   20037)  V.6-    1963-  Volume(issue)/page/year: 23,1350,1980

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 890 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   NEOLA4 Neoplasma.  (Karger-Libri, P.O. Box, CH-4009 Basel, Switzerland) V.4-
      1957-  Volume(issue)/page/year: 24,253,1977

TYPE OF TEST            : TDLo - Lowest

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : 2100 mg/kg
TOXIC EFFECTS :
   Gastrointestinal - hypermotility, diarrhea
   Behavioral - tremor
   Lungs, Thorax, or Respiration - respiratory depression
REFERENCE :
   AMIHAB AMA Archives of Industrial Health.  (Chicago, IL)  V.11-21, 1955-60.
   For publisher information, see AEHLAU.  Volume(issue)/page/year: 11,93,1955

TYPE OF TEST            : Unscheduled DNA synthesis
ROUTE OF EXPOSURE       : Intraperitoneal
TEST SYSTEM             : Rodent - rat
DOSE/DURATION           : 1200 mg/kg/3D (Continuous)
REFERENCE :
   DANKAS Doklady Akademii Nauk SSSR.  Proceedings of the Acad

TYPE OF TEST            : DNA inhibition
TEST SYSTEM             : Human Lymphocyte
DOSE/DURATION           : 20 umol/L
REFERENCE :
   BBRCA9 Biochemical and Biophysical Research Communications.  (Academic
   Press, Inc., 1 E. First St., Duluth, MN 55802)  V.1-    1959-
   Volume(issue)/page/year: 80,963,1978

TYPE OF TEST            : Mutation in microorganisms
TEST SYSTEM             : Rodent - mouse Lymphocyte
DOSE/DURATION           : 6 mg/L
REFERENCE :
   EMMUEG Environmental and Molecular Mutagenesis.  (Alan R. Liss, Inc., 41 E.
   11th St., New York, NY 10003)  V.10-    1987-  Volume(issue)/page/year:
   11,91,1988

TYPE OF TEST            : DNA damage
ROUTE OF EXPOSURE       : Oral
TEST SYSTEM             : Rodent - rat
DOSE/DURATION           : 1400 mg/kg
REFERENCE :
   FCTOD7 Food and Chemical Toxicology.  (Pergamon Press Inc., Maxwell House,
   Fairview Park, Elmsford, NY 10523)  V.20-    1982- Volume(issue)/pa

TYPE OF TEST            : Dominant lethal test
ROUTE OF EXPOSURE       : Oral
TEST SYSTEM             : Rodent - mouse
DOSE/DURATION           : 12 gm/kg/10W (Continuous)
REFERENCE :
   NTIS** National Technical Information Service.  (Springfield, VA 22161)
   Formerly U.S. Clearinghouse for Scientific & Technical Information.
   Vol

TYPE OF TEST            : Unscheduled DNA synthesis
ROUTE OF EXPOSURE       : Oral
TEST SYSTEM             : Rodent - rat
DOSE/DURATION           : 16800 mg/kg/4W (Continuous)
REFERENCE :
   TXAPA9 Toxicology and Applied Pharmacology.  (Academic Press, Inc., 1 E.
   First St., Duluth, MN 55802) V.1-    1959-  Volume(issue)/page/year:
   99,37,1989

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE                    : 1200 mg/kg
SEX/DURATION            : female 9 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Specific Developmental Abnormalities - musculoskeletal system
REFERENCE :
   TRENAF Kenkyu Nenpo--Tokyo-toritsu Eisei Kenkyusho.  Annual Report of Tokyo
   Metropolitan Research Laboratory of Public Health.  (Tokyo-toritsu Eisei
   Kenkyusho, 24-1, 3-chome, Hyakunin-cho, Shin-juku-ku, Tokyo 160, Japan) V.1-
      1949/50-  Volume(issue)/page/year: 28(2),45,1977

TYPE OF TEST            :

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 6 gm/kg
SEX/DURATION            : male 13 week(s) pre-mating
                          female 13 week(s) pre-mating  - 3 week(s) post-birth
TOXIC EFFECTS :
   Reproductive - Effects on Newborn - growth statistics (e.g.%, reduced weight
   gain)
REFERENCE :
   FCTOD7 Food and Chemical Toxicology.  (Pergamon Press Inc., Maxwell House,
   Fairview Park, Elmsford, NY 10523)  V.20-    1982- Volume(issue)/page/year:
   24,1,1986

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE                    : 12600 mg/kg
SEX/DURATION            : female 1-21 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Effects on Newborn - behavioral
REFERENCE :
   FEPRA7 Federation Proceedings, Federation of American Societies for
   Experimental Biology. (Bethesda, MD)  V.1-46, 1942-87.
   Volume(i

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE

其他信息

  • 爆炸物危险特性:对皮肤,角膜有腐蚀性; 与氧化剂反应激烈
  • 用途四:BHT是国内外广泛使用的油溶性抗氧化剂。虽毒性较大,但其抗氧化能力较强,耐热及稳定性好,既没有特异臭,也没有遇金属离子呈色反应等缺点,而且价格低廉,仅为BHA的1/5~1/8,我国仍作为主要抗氧化剂使用。一般与BHA配合使用,并以柠檬酸或其他有机酸为增效剂。我国规定可用于食用油脂、油炸食品、饼干、方便面、速煮米、果仁罐头、干鱼制品和腌腊肉制品,最大使用量0.2g/kg。本品也具有一定的抗菌作用,但较BHA弱。
  • 用途一:用于有机合成
  • 参考质量标准三:GBl900-80(食品级) 熔点/℃ 69~70 水分/% ≤0.1 灼烧残渣/% ≤0.0l 硫酸盐(以SO4 2- 计)/% ≤0.002 游离酚(以对甲酚计)/% ≤0.02 重金属(以Pb计)/% ≤0.0004 砷(以As计)/% ≤0.000l
  • 上游原料:乙醇 --> 氢氧化钠 --> 磷酸 --> 叔丁醇 --> 异丁烯 --> 异丁醇 --> 4-甲基苯酚 --> 脱水剂 --> 塔板
  • 抗氧剂:抗氧剂 是一种能够抑制或者延缓 高聚物和其他有机化合物在空气中热氧化的有机化合物。通常只要加入1%微小浓度的抗氧剂就非常有效。例如,食品容易氧化变质,可以加入少量抗氧剂以延长它 们的储存时间。塑料、合成纤维和橡胶等高分子材料容易发生热氧降解反应,加入抗氧剂可以保持高分子材料的优良性能,延长使用寿命。抗氧剂的加入要越靠近 老化周期越好,例如在聚合物干燥成粉末之前。 抗氧剂PL-440是具有优秀性能的亚磷酸酯类抗氧剂,可作为高聚物的助抗氧剂和热稳定剂,广泛用于PVC、PET、ABS、聚烯烃、尼龙、PPO、PBT合金、聚苯乙烯和其 他聚合物中。可有效地改善制品的光稳定性、加工稳定性、机械强度以及颜色稳定性和透明性,延长制品的寿命。PL-440具有稳定高聚物熔融粘度的特殊功效。本 产品无毒,可用于
  • 含量分析:内标液准确称取二苯胺或4-叔丁酚500mg,溶于丙酮并定容至250ml。标准液 准确称取标准BHT 100mg,溶于丙酮并定容至50ml。 测定准确称取试样约10mg,溶于内标液并定容至50ml。将该试样液注入一装有氢焰离子检出器的气相色谱仪中。用装有10%XE-60载于100~200目Aeropak 30的玻璃柱(1.5m×3mm内径),保持等温155℃。注样器和检测器的温度分别为225℃和250℃。用氮载气,流量30ml/min。 用各种浓度的BHT峰高和内标液峰高绘制标准曲线,然后参比标准曲线求取BHT的含量。
  • Sigma Aldrich:128-37-0(sigm
  • 类别:腐蚀物品
  • 易溶于甲苯,溶于丙酮、乙醇、苯、乙醚、异丙醇、甲醇、2-丁酮、乙二醇乙醚、石油醚等有机溶液,不溶于水和碱溶液。半数致死量(小鼠,经口)1040mg/kg,无毒。
  • 使用限量:GB 2760--2001(g/kg):糖果用香精0.1;食用油脂、油炸食品、干鱼制品、饼干、方便面、速煮面、果仁罐头、腌腊肉制品,0.2;早餐谷类食品,0.2(混用或单用);口香糖0.4;胶基1.0;香料GMP。 FAO/WHO(1984,mg/kg):
  • 使用限量:GB 2760--2001(g/kg):糖果用香精0.1;食用油脂、油炸食品、干鱼制品、饼干、方便面、速煮面、果仁罐头、腌腊肉制品,0.2;早餐谷类食品,0.2(混用或单用);口香糖0.4;胶基1.0;香料GMP。 FAO/WHO(1984,mg/kg):一般食用油脂200,乳脂肪200(不得用于直接消费,也不得用于调制奶及其制品);人造奶油100。 日本(g/kg):油脂、鱼贝腌制品等0.2,鱼贝冷冻品的浸渍液1,胶姆糖0.75。 USDA (9CFR, §318.7, §381.147,2000%):干香肠0.003;精炼动物油0.01;人造奶油0.02;家禽0.01(以含脂量计)。 FDA (21CFR, §172.115, §172.615,§173.340,§181.24, §182.3173; §172.515;2000,mg/kg):脱水马铃薯块、片,红薯片,干早餐谷物,50;起酥油乳化稳定剂200;马铃薯丁10(均以BHT和BHA总量计);用于消泡剂等0.1%;由食品包装材料移入限量0

系列性分类