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对甲酚 | 106-44-5

中文名称
对甲酚
中文别名
对羟基甲苯;对甲苯酚;4-甲酚;对克勒梭尔;4-甲基苯酚;4-甲基酚;对甲基苯酚
英文名称
p-cresol
英文别名
4-methylphenol;para-cresol;p-methylphenol;4-cresol
对甲酚化学式
CAS
106-44-5
化学式
C7H8O
mdl
MFCD00002376
分子量
108.14
InChiKey
IWDCLRJOBJJRNH-UHFFFAOYSA-N
BEILSTEIN
——
EINECS
——
  • 物化性质
  • 计算性质
  • ADMET
  • 安全信息
  • SDS
  • 制备方法与用途
  • 上下游信息
  • 反应信息
  • 文献信息
  • 表征谱图
  • 同类化合物
  • 相关功能分类
  • 相关结构分类

物化性质

  • 熔点:
    32-34 °C(lit.)
  • 沸点:
    202 °C(lit.)
  • 密度:
    1.034 g/mL at 25 °C(lit.)
  • 蒸气密度:
    3.72 (vs air)
  • 闪点:
    193 °F
  • 溶解度:
    20g/l
  • 暴露限值:
    NIOSH REL: TWA 2.3 ppm (10 mg/m3), IDLH 250 ppm; OSHA PEL: TWA 5 ppm (22 mg/m3); ACGIH TLV: TWA for all isomers 5 ppm (adopted).
  • 介电常数:
    5.6(21.0℃)
  • LogP:
    1.94
  • 物理描述:
    Crystalline solid with a sweet, tarry odor. [Note: A liquid above 95°F.]
  • 颜色/状态:
    Crystalline solid [Note: A liquid above 95 degees F]
  • 气味:
    Phenolic odor
  • 蒸汽密度:
    3.72 (NTP, 1992) (Relative to Air)
  • 蒸汽压力:
    0.11 mm Hg at 25 °C
  • 水溶性:
    -0.7
  • 亨利常数:
    Henry's Law constant = 1X10-6 atm-cu m/mol at 25 °C
  • 大气OH速率常数:
    4.70e-11 cm3/molecule*sec
  • 稳定性/保质期:

    Crystals or liquid darken with exposure to air and light.

  • 自燃温度:
    1038 °F (558 °C)
  • 粘度:
    4.48 mPa.s (cP) at 50 °C
  • 燃烧热:
    -3701 kJ/mol at 25 °C
  • 汽化热:
    47.45 kJ/mol at 201.98 °C
  • 表面张力:
    34.0 mN/m at 50 °C
  • 电离电位:
    8.97 eV
  • 气味阈值:
    Odor Threshold Low: 0.00046 [mmHg]; Odor Threshold High: 0.2 [mmHg]; Odor threshold low (detection) and high (recognition) from CHRIS
  • 折光率:
    Index of refraction = 1.5395 at 20 °C/D
  • 解离常数:
    10.3 (at 25 °C)
  • 保留指数:
    1051.8 ;1059 ;1054 ;1056 ;1064 ;1066 ;1048 ;1063 ;1045 ;1034 ;1052 ;1052 ;1052 ;1033.1 ;1037 ;1037 ;1050 ;1050 ;1060 ;1073 ;1059 ;1055 ;1055 ;1046 ;1056 ;1080 ;1051 ;1055 ;1052 ;1041 ;1051 ;1053 ;1056 ;1044 ;1051 ;1060 ;1052 ;1031 ;1052 ;1060 ;1090 ;1047 ;1051.4 ;1059.8 ;1050 ;1070 ;1053 ;1057 ;1055.3 ;1051 ;1059 ;1036.9 ;1052 ;1056 ;1044 ;1045.1 ;1051 ;1046 ;1048 ;1048 ;1047

计算性质

  • 辛醇/水分配系数(LogP):
    1.9
  • 重原子数:
    8
  • 可旋转键数:
    0
  • 环数:
    1.0
  • sp3杂化的碳原子比例:
    0.142
  • 拓扑面积:
    20.2
  • 氢给体数:
    1
  • 氢受体数:
    1

ADMET

代谢
p-甲喂给兔子后,以葡萄糖苷酸(60%)和硫酸盐(15%)结合物的形式从尿液中排出,大约10%被氧化成对羟基苯甲酸,还有微量的被羟基化为3,4-二羟基甲苯
p-Cresol fed to rabbits is excreted in the urine as the glucuronide (60%) and sulfate (15%) conjugates, some 10% is oxidized to p-hydroxybenzoic acid and a trace is hydroxylated to 3,4-dihydroxytoluene.
来源:Hazardous Substances Data Bank (HSDB)
代谢
p-甲在兔体内产生p-甲基-β-D-葡萄糖苷酸、p-甲硫酸酯对羟基苯甲醇、4-甲基儿茶酚和对甲氧基茴香醚
p-Cresol yields p-cresyl-beta-d-glucuronide, p-cresyl sulfate, p-hydroxybenzyl alcohol, 4-methylcatechol, and p-methylanisole in rabbits.
来源:Hazardous Substances Data Bank (HSDB)
代谢
p-甲在人体内会产生对甲苯磺酸
p-Cresol yields p-cresyl sulfate in man.
来源:Hazardous Substances Data Bank (HSDB)
代谢
p-甲在大鼠体内会生成对甲苯酚硫酸酯对甲基茴香醚
p-Cresol yields p-cresyl sulfate and p-methylanisole in rats.
来源:Hazardous Substances Data Bank (HSDB)
代谢
4-甲基苯酚已知的人类代谢物包括4-羟基苄醇、4-甲基对苯二酚、4-甲基-2,5-环己二烯-1-酮和(2S,3S,4S,5R)-3,4,5-三羟基-6-(4-甲基苯氧基)氧杂环己烷-2-羧酸
4-Methylphenol has known human metabolites that include 4-Hydroxybenzyl alcohol, 4-methyl-hydroquinone, 4-Methyl-2,5-cyclohexadien-1-one, and (2S,3S,4S,5R)-3,4,5-Trihydroxy-6-(4-methylphenoxy)oxane-2-carboxylic acid.
来源:NORMAN Suspect List Exchange
毒理性
  • 毒性总结
识别和使用:对甲酚是一种在95°F以下的结晶固体。它曾被用于爆炸物、石油、摄影、油漆和农业行业,用于制造合成树脂;在消毒剂和熏蒸剂中使用;作为工业溶剂。对甲酚用于抗氧化剂的配方中。对甲酚香料染料工业中有着广泛的应用。合成食品香料中也含有对甲酚。它被用作局部抗菌剂,杀虫剂,在兽医中用作消毒剂。人类暴露和毒性:对甲酚是芳香氨基酸的最终产物,由肠道细菌通过食物蛋白质产生,可以在血液、尿液和粪便中检测到。对甲酚可能有助于尿毒症患者的中风和血栓形成。慢性肾病患者中对甲酚血清平较高的人群与心血管疾病死亡率的增加有关。对甲酚降低了心肌细胞的自发收缩率,并导致心肌细胞跳动不规则。在急性对甲酚中毒和长期接触 cresol 的情况下,如严重尿毒症患者,对甲酚可能会抑制血小板聚集,从而导致出血性疾病。对甲酚可能在尿毒症患者的免疫缺陷中发挥作用。关于未计划 DNA 合成诱导的研究表明,在存在肝脏匀浆的情况下,人肺成纤维细胞中对甲酚呈阳性反应。动物研究:对甲酚可以通过皮肤和眼睛接触引起严重的局部刺激和腐蚀。通过将0.5-1.0%的对甲酚乳液注入兔子和猴子眼前房中,实验性地诱导了青光眼。将0.5%的对甲酚涂抹在皮肤上6周,导致黑色和杂色小鼠的皮肤和毛发永久性脱色。三种 cresol 同分异构体通过灌胃给药时对小鼠的毒性大于大鼠,其中邻甲酚毒性最大,其次是间甲酚,然后是对甲酚。这些效果与暴露后的效果相似,但程度较轻。邻甲酚对甲酚在猫中的毒性大致相等,而间甲酚的毒性略低。单次静脉注射180-280 mg/kg的对甲酚给兔子,结果出现抽搐、昏迷和死亡。在一项为期28天的研究中,大鼠和小鼠(无论性别)以300至30,000 ppm的浓度通过饮食给予对甲酚。所有大鼠在研究结束前存活;一些小鼠在10,000和30,000 ppm饮食平下死亡。在3000 ppm的剂量下,两种物种都出现了肝脏和肾脏重量增加的情况。在10,000和30,000 ppm饮食组中,观察到骨髓增生和子宫、卵巢和乳腺的萎缩。在一项为期90天的研究中,大鼠通过灌胃给予50、175或600 mg对甲酚/kg体重。最高剂量的治疗导致了死亡率和体重显著降低以及食物消耗量的减少;中枢神经系统影响包括在给药后15-30分钟内的嗜睡、共济失调、昏迷、呼吸困难、震颤和抽搐。对大鼠进行了详细的中期口服神经毒性研究,使用三种 cresol 同分异构体。在剂量为50 mg/kg/天或更高时,报告了一系列表明神经毒性的临床观察结果(包括活动减少、呼吸急促、过度流涎和震颤)。在450 mg/kg/天或更高时报告了抽搐。在两代大鼠的繁殖研究中,在母体有毒剂量下观察到了胎儿毒性。在体外培养的大鼠胚胎研究中,对甲酚引起了与剂量相关的生长和结构异常效应。对甲酚在大鼠中引起了发情周期延长,剂量为7500和30,000 mg/kg;对小鼠的发情周期没有影响。雌性小鼠在单次涂抹二甲基苯并后1周,随后每周两次给予12周的20%对甲酚溶液。对甲酚在存活的鼠标上产生了7/20肿瘤(乳头状瘤)。通过饲料给予对甲酚,在20周的暴露期间,仓鼠食道轻度和中度增生发生率增加。对甲酚在体内和体外均未表现出遗传毒性。生态毒性研究:中的0.028 mM对甲酚浓度导致96小时暴露后,虹鳟鱼血清山梨醇脱氢酶活性显著增加。在48小时脉冲暴露于8 mg对甲酚/L的情况下,狗鱼死亡率非常高。小口鲈显示出明显的压力;大口鲈没有显示出明显的压力,但已经停止进食。在明尼苏达州蒙蒂塞洛的EPA户外实验溪流设施中,研究了对甲酚对底栖大型无脊椎动植物的影响。对甲酚的主要影响是生植物的光合作用和呼吸过程。
IDENTIFICATION AND USE: p-Cresol is a crystalline solid below 95 °F. It has been used in explosive, petroleum, photographic, paint and agricultural industries, for making synthetic resins; in disinfectants and fumigants; as industrial solvent. p-Cresol is used in the formulation of antioxidants. p-Cresol has many applications in the fragrance and dye industries. Synthetic food flavors also contain p-cresol. It is used as local antiseptic, parasiticide, disinfectant in veterinary. HUMAN EXPOSURE AND TOXICITY: p-Cresol, an end product of aromatic amino acids, is produced from food proteins by intestinal bacteria, and is detectable in blood, urine and feces. p-Cresol may contribute to atherosclerosis and thrombosis in patients with uremia. Higher serum levels of p-cresol in chronic kidney disease populations have been associated with increased cardiovascular mortality. p-Cresol reduced the spontaneous contraction rates of cardiomyocytes, and caused irregular cardiomyocyte beating. In acute p-cresol-poisoning and long-term exposure to cresol as in severe uremic patients, p-cresol may potentially inhibit blood clot formation and lead to hemorrhagic disorders via inhibition of platelet aggregation. p-Cresol may play a role in the immune defect of uremic patients. Studies on the induction of unscheduled DNA synthesis showed p-cresol to be positive in human lung fibroblast cells in the presence of hepatic homogenates. ANIMAL STUDIES: p-Cresol can cause severe local irritation and corrosion following dermal and ocular exposure. Glaucoma has been induced experimentally in rabbits & monkeys by injection of 0.5-1.0% p-cresol emulsion in physiologic saline into the anterior chamber. Application of 0.5% p-cresol to the skin for 6 weeks resulted in permanent depigmentation of the skin and hair in black and agouti mice. All three cresols isomers are more toxic to mice than to rats when administered by gavage. o-Cresol is the most toxic, followed by p-cresol and then m-cresol. The effects are similar to, but less severe than, those following phenol exposure. Phenol, o- and p-cresol have about equal toxicity in cats while m-cresol is slightly less toxic. 180-280 mg/kg of p-cresol given iv to rabbits in a single dose, resulted in convulsions, coma, and death. In a 28-day study, rats and mice of both sexes were given p-cresol at concentrations of 300 to 30,000 ppm in the diet. All rats survived until study termination; some mice died at the 10,000 and 30,000 ppm dietary levels. Increased liver weights and kidney weights were noted in both species at doses as low as 3000 ppm. Bone marrow hyperplasia, and atrophy of the uterus, ovary, and mammary gland were seen in the 10,000- and 30,000-ppm dietary groups. In a 90-day study, rats were gavaged with 50, 175, or 600 mg p-Cresol/kg bw. The treatment with the highest dose caused combined mortality and significant reduction in bw and food consumption; CNS effects included lethargy, ataxia, coma, dyspnea, tremor, and convulsions within 15-30 min after dosing. A detailed oral neurotoxicity study of intermediate duration was performed on rats using all three cresol isomers. A host of clinical observations indicative of neurotoxicity (including hypoactivity, rapid labored respiration, excessive salivation, and tremors) was reported at doses of 50 mg/kg/day or higher for all three isomers. Convulsions were reported at 450 mg/kg/day or higher. Fetotoxicity was observed at parenterally-toxic doses in two-generation reproduction studies in rats. In a study conducted on cultured rat embryos in vitro, p-cresol caused dose-related effects on growth and structural abnormalities. p-Cresol caused an increased estrus cycle length in rats at 7500 and 30,000 mg/kg; there were no effects on the estrus cycle in mice. Female mice were dosed with a single application of dimethylbenzanthracene followed 1 wk later by 25uL of a 20% solution of p-cresol in benzene twice weekly for 12 wk. p-Cresol produced 7/20 tumors (papillomas) on surviving mice. p-Cresol given in the feed produced an increased incidence of mild and moderate hyperplasia of the forestomach of hamsters exposed for 20 weeks. P-Cresol was not genotoxic in vivo and in vitro. ECOTOXICITY STUDIES: A waterborne concn of 0.028 mM p-cresol resulted in statistically significant increases in serum sorbitol dehydrogenase activities shown by rainbow trout after 96 hr of exposure. During a 48-hr pulsed exposure to 8 mg p-cresol/L, the mortality of walleyed pike was very high. Smallmouth bass showed visible stress; largemouth bass showed no visible stress but had stopped feeding. The effects of p-cresol were examined on benthic macroinvertebrate flora and fauna in an EPA outdoor experimental stream facility located at Monticello, Minnesota. The primary effect of p-cresol was on the photosynthetic and respiration processes of aquatic plants.
来源:Hazardous Substances Data Bank (HSDB)
毒理性
  • 毒性总结
对-甲是一种胆碱酯酶乙酰胆碱酯酶(AChE)抑制剂胆碱酯酶抑制剂(或“抗胆碱酯酶”)抑制乙酰胆碱酯酶的作用。由于其基本功能,干扰乙酰胆碱酯酶作用的化学物质是强大的神经毒素,低剂量时会引起过度流涎和流泪,随后是肌肉痉挛,最终导致死亡。神经气体和许多用于杀虫剂的物质已被证明通过结合乙酰胆碱酯酶活性位点的丝氨酸,完全抑制该酶。乙酰胆碱酯酶分解神经递质乙酰胆碱,该递质在神经和肌肉接头处释放,以允许肌肉或器官放松。乙酰胆碱酯酶抑制的结果是乙酰胆碱积聚并继续发挥作用,使得任何神经冲动不断传递,肌肉收缩不会停止。最常见的乙酰胆碱酯酶抑制剂之一是基于的化合物,它们被设计用来结合到酶的活性位点上。结构要求是一个带有两个亲脂性基团的原子、一个离去基团(如卤素或硫氰酸盐)以及一个末端的氧。
p-Cresol is a cholinesterase or acetylcholinesterase (AChE) inhibitor. A cholinesterase inhibitor (or 'anticholinesterase') suppresses the action of acetylcholinesterase. Because of its essential function, chemicals that interfere with the action of acetylcholinesterase are potent neurotoxins, causing excessive salivation and eye-watering in low doses, followed by muscle spasms and ultimately death. Nerve gases and many substances used in insecticides have been shown to act by binding a serine in the active site of acetylcholine esterase, inhibiting the enzyme completely. Acetylcholine esterase breaks down the neurotransmitter acetylcholine, which is released at nerve and muscle junctions, in order to allow the muscle or organ to relax. The result of acetylcholine esterase inhibition is that acetylcholine builds up and continues to act so that any nerve impulses are continually transmitted and muscle contractions do not stop. Among the most common acetylcholinesterase inhibitors are phosphorus-based compounds, which are designed to bind to the active site of the enzyme. The structural requirements are a phosphorus atom bearing two lipophilic groups, a leaving group (such as a halide or thiocyanate), and a terminal oxygen.
来源:Toxin and Toxin Target Database (T3DB)
毒理性
  • 致癌性证据
分类:C;可能的人类致癌物。分类依据:在小鼠的启动-促进研究中,皮肤乳头状瘤的发生率增加。三种邻甲酚异构体在单独及组合的遗传毒性研究中均产生了阳性结果。人类致癌性数据:不足。动物致癌性数据:有限。
CLASSIFICATION: C; possible human carcinogen. BASIS FOR CLASSIFICATION: Based on an increased incidence of skin papillomas in mice in an initiation-promotion study. The three cresol isomers produced positive results in genetic toxicity studies both alone and in combination. HUMAN CARCINOGENICITY DATA: Inadequate. ANIMAL CARCINOGENICITY DATA: Limited.
来源:Hazardous Substances Data Bank (HSDB)
毒理性
  • 致癌性证据
A4:不能分类为人类致癌物。/甲,所有同分异构体/
A4: Not classifiable as a human carcinogen. /Cresol, all isomers/
来源:Hazardous Substances Data Bank (HSDB)
毒理性
  • 致癌物分类
对人类不具有致癌性(未列入国际癌症研究机构IARC名单)。
No indication of carcinogenicity to humans (not listed by IARC).
来源:Toxin and Toxin Target Database (T3DB)
吸收、分配和排泄
人类通常每天通过尿液排出大约50毫克的p-甲。p-甲是由胃肠道中的厌氧细菌通过酪氨酸内源生成的。
Humans normally excrete approximately 50 mg of p-cresol in the urine daily. p-Cresol is produced endogenously from tyrosine by anaerobic bacteria in the gastrointestinal tract.
来源:Hazardous Substances Data Bank (HSDB)
吸收、分配和排泄
正常人每天排泄16到39毫克的p-甲
The normal human excretes 16 to 39 mg p-cresol/day.
来源:Hazardous Substances Data Bank (HSDB)
吸收、分配和排泄
Cresols对皮肤或眼睛的腐蚀性略高于,但由于吸收较慢,系统性的影响可能略为温和。
Cresols are slightly more corrosive /to the skin or eyes/ than phenol, but systemic effects may be a little milder because of slower absorption.
来源:Hazardous Substances Data Bank (HSDB)
吸收、分配和排泄
健康人每天通过尿液排出大约50毫克(范围在16-74毫克)的对甲酚。内源性的对甲酚是由酪氨酸产生的,酪氨酸是一种存在于大多数蛋白质中的氨基酸,通过肠道中的厌氧细菌转化而成。以这种方式形成的游离对甲酚从肠道吸收并在尿液中以结合物的形式排出。
Healthy humans excrete an average of about 50 mg (range 16-74 mg) of p-cresol in the urine daily. Endogenous p-cresol is produced from tyrosine, an amino acid present in most proteins, by anaerobic bacteria in the intestine. Free p-cresol formed in this way is absorbed from the intestine and eliminated in the urine as conjugates.
来源:Hazardous Substances Data Bank (HSDB)

安全信息

  • 职业暴露等级:
    B
  • 职业暴露限值:
    TWA: 2.3 ppm (10 mg/m3)
  • TSCA:
    Yes
  • 危险等级:
    6.1
  • 危险品标志:
    T
  • 安全说明:
    S36/37,S36/37/39,S45
  • 危险类别码:
    R34,R24/25
  • WGK Germany:
    1
  • 海关编码:
    29071200
  • 危险品运输编号:
    UN 3455 6.1/PG 2
  • 危险类别:
    6.1
  • RTECS号:
    GO6475000
  • 包装等级:
    II
  • 危险标志:
    GHS05,GHS06
  • 危险性描述:
    H301,H311,H314
  • 危险性防范说明:
    P280,P301 + P310,P305 + P351 + P338,P310
  • 储存条件:
    储存注意事项:应存放在阴凉、通风良好的库房中,并远离火源和热源。包装需密封,避免与空气接触。应将储存品与氧化剂、碱类及食用化学品分开存放,切忌混储。同时,需配备相应种类和数量的消防器材。在储区还需准备合适的材料以处理可能的泄漏情况。

SDS

SDS:8cfcf0e0cb1c5b5b69cb4b576d64e804
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国标编号: 61073
CAS: 106-44-5
中文名称: 4-甲(苯)
英文名称: 4-methylphenol;p-Cresol
别 名: 对甲(苯);4-甲基苯酚
分子式: C 7 H 8 O;HOC 6 H 4 CH3
分子量: 108.13
熔 点: 35.5℃ 沸点:201.8℃
密 度: 相对密度(=1)1.03;
蒸汽压: 94.4℃
溶解性: 微溶于,溶于乙醇乙醚氯仿、碱液
稳定性: 稳定
外观与性状: 无色结晶,有芳香气味
危险标记: 14(有毒品)
用 途: 用于有机合成和作杀菌剂、防霉剂

2.对环境的影响:
一、健康危害
侵入途径:吸入、食入、经皮吸收。
健康危害:本品对皮肤、粘膜有强烈刺激和腐蚀作用。引起多脏器损害。
急性中毒:引起肌肉无力、胃肠道症状、中枢神经抑制、虚脱、体温下降和昏迷,并可引起肺肿和肝、肾、胰等脏器损害,最终发生呼吸衰竭。
慢性影响:可引起消化道功能障碍,肝、肾损害和皮疹。
二、毒理学资料及环境行为
毒性:属低毒类。
急性毒性:LD 50 207mg/kg(大鼠经口);301mg/kg(兔经皮)
致癌性:小鼠经皮最低中毒剂量(TDL 0 ):4800mg/kg(12周,间歇),致肿瘤阳性。
生物降解的影响:中浓度16.5mg/L时,未驯化的活性污泥对氮的硝化作用降低75%,浓度30mg/L时,荧光假单孢菌对葡萄糖的降解受到抑制,浓度大于1000mg/L时,大肠杆菌对葡萄糖的降解受到抑制。
危险特性:遇明火、高热或与氧化剂接触,有引起燃烧爆炸的危险。
燃烧(分解)产物:一氧化碳二氧化碳

3.现场应急监测方法:
直接进样气相色谱法

4.实验室监测方法:
监测方法 来源 类别
气相色谱法 《空气和废气监测分析方法》国家环保局编 空气和废气
气相色谱法;色谱/质谱法 《固体废弃物试验分析评价手册》中国环境监测总站等译 固体废弃物
高效液相色谱 《空气中有害物的测定方法》(第二版),杭士平主编 空气
亚胺溴苯醌比色法;
对硝基重氮苯比色法
《化工企业空气中有害物质测定方法》,化学工业出版社 化工企业空气
色谱/质谱法 和废标准检验法》第19版译文,江苏省环境监测中心 和废

5.环境标准:
前苏联 车间空气中有害物质的最高容许浓度 0.5mg/m 3
前苏联(1978) 环境空气中基本安全浓度 0.02mg/m 3
前苏联(1975) 体中有害物质最高允许浓度 0.004mg/L
前苏联(1975) 排放标准 0.1mg/L
嗅觉阈浓度 0.2ppm

6.应急处理处置方法:
一、泄漏应急处理
隔离泄漏污染区,限制出入。切断火源。建议应急处理人员戴自给式呼吸器,穿防毒服。不要直接接触泄漏物。小量泄漏:避免扬尘,用洁净的铲子收集于干燥、洁净、有盖的容器中。大量泄漏:收集回收或运至废物处理场所处置。
废弃物处置方法:用焚烧法。
二、防护措施
呼吸系统防护:空气中粉尘浓度超标时,应该佩戴头罩型电动送风过滤式防尘呼吸器;可能接触其蒸气时,应该佩戴自吸过滤式防毒面具(全面罩)。
眼睛防护:呼吸系统防护中已作防护。
身体防护:穿胶布防毒衣。
手防护:戴橡胶手套。
其它:工作现场禁止吸烟、进食和饮。工作毕,彻底清洗。单独存放被毒物污染的衣服,洗后备用。注意个人清洁卫生。
三、急救措施
皮肤接触:立即脱去被污染的衣着,用甘油、聚乙烯乙二醇或聚乙烯乙二醇酒精混合液(7 3)抹洗,然后用彻底清洗。或用大量流动清冲洗,至少15分钟。就医。
眼睛接触:立即提起眼睑,用大量流动清或生理盐彻底冲洗至少15分钟。就医。
吸入:迅速脱离现场至空气新鲜处。保持呼吸道通畅。如呼吸困难,给输氧。如呼吸停止,立即进行人工呼吸。就医。
食入:立即给饮植物油15-30mL。催吐。就医。
灭火方法:消防人员须佩戴防毒面具、穿全身消防服。灭火剂:雾状、泡沫、干粉、二氧化碳、砂土。

制备方法与用途

毒性

对中枢神经有毒害作用,严重时可致死。LD₅₀为1800 mg/kg(大鼠,经口)。作为香料可安全用于食品(FDA,§172.515,2000),被列为GRAS (FEMA)。

使用限量

FEMA(mg/kg):软饮料0.67;冷饮0.01~1.0;糖果和焙烤食品0.01~2.0。

食品添加剂最大允许使用量与最大允许残留量标准
  • 添加剂中文名称:对-甲
  • 允许使用该种添加剂的食品中文名称:食品。
  • 添加剂功能:食品用香料,用于配制香精的各香料成分不得超过在GB 2760中的最大允许使用量和最大允许残留量。
化学性质

无色至粉红色结晶,呈烟熏、草药气味。相对密度(d₂₀)1.0178,折射率(nD₂₀)1.5953,沸点246℃。可溶于乙醇、苯和氯仿等有机溶剂。

生产方法 安全分类
  • 类别:腐蚀物品。
  • 毒性分级:高毒。
  • 急性毒性:口服-大鼠LD₅₀: 207毫克/公斤;小鼠 LD₅₀: 344 毫克/ 公斤。
  • 刺激数据:皮肤-兔子517毫克/24小时重度刺激;眼睛-兔子103毫克重度刺激。
危险特性
  • 爆炸物危险特性:与空气混合可燃,对皮肤、角膜有腐蚀性。
  • 可燃性危险特性:易燃物质,燃烧产生刺激烟雾。
  • 储运特性:库房通风低温干燥;应远离氧化剂存放。
灭火方法

砂土、泡沫、雾状。职业暴露限值为TLV-TWA 5 PPM (22 毫克/立方米)。

上下游信息

  • 上游原料
    中文名称 英文名称 CAS号 化学式 分子量
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  • 下游产品
    中文名称 英文名称 CAS号 化学式 分子量
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反应信息

  • 作为反应物:
    描述:
    对甲酚 在 5%-palladium/activated carbon 、 potassium acetate 、 sodium hydroxide 作用下, 以 为溶剂, 反应 12.33h, 生成 4-甲氧甲基苯酚
    参考文献:
    名称:
    Practical Process for the Air Oxidation of Cresols:  Part A. Mechanistic Investigations
    摘要:
    The catalytic air oxidation of p-cresol and 2,6-di-tert-butyl-4-methylphenol to the corresponding benzaldehydes was investigated to determine the mechanism at work in these oxidation reactions. A number of intermediates and byproducts, mainly in the form of dimers, were observed during the course of the reactions, and their structures were elucidated by spectroscopic and chromatographic methods. The existence of these compounds in the reaction mixtures, and their proposed methods of formation, provided further insight into the mechanism involved in these oxidations.
    DOI:
    10.1021/op049845b
  • 作为产物:
    描述:
    2,6-二叔丁基-4-甲基苯酚 在 aluminum (III) chloride 、 甲苯 作用下, 以 硝基甲烷 为溶剂, 反应 0.08h, 以84%的产率得到对甲酚
    参考文献:
    名称:
    氢借位催化铱催化2,6-二叔丁基苯酚的C4-烷基化
    摘要:
    摘要 已经开发出一种铱催化的氢借入方法,通过使用一系列伯醇,可以在C4-位烷基化2,6-二叔丁基苯酚(11个实例,产率40-93%)。此后,对获得的部分产品进行弗里德-克来福特逆反应,以提供对位取代的苯酚,这些苯酚可能会进行进一步的合成操作。 已经开发出一种铱催化的氢借入方法,通过使用一系列伯醇,可以在C4-位烷基化2,6-二叔丁基苯酚(11个实例,产率40-93%)。此后,对获得的部分产品进行弗里德-克来福特逆反应,以提供对位取代的苯酚,这些苯酚可能会进行进一步的合成操作。
    DOI:
    10.1055/s-0035-1561439
  • 作为试剂:
    描述:
    氯苯 、 alkaline earth salt of/the/ methylsulfuric acid 在 对甲酚 作用下, 生成 4-甲基二苯基醚
    参考文献:
    名称:
    DE269543
    摘要:
    公开号:
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文献信息

  • A Facile Synthesis of Hydroxamic Acids of<i>N<sup>α</sup></i>-Protected Amino Acids Employing BDMS, a Study of Their Molecular Docking and Their Antibacterial Activities
    作者:K. Uma、H. S. Lalithamba、V. Chandramohan、K. Lingaraju
    DOI:10.1080/00304948.2019.1579039
    日期:2019.3.4
    Hydroxamic acids have received much attention as biologically active compounds. Synthetic hydroxamic acids enhance the growth of plant sources and improve the soil quality, act as antibiotics, cell...
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  • Fungicides
    申请人:Imperial Chemical Industries PLC
    公开号:US05286894A1
    公开(公告)日:1994-02-15
    This invention relates to derivatives of acrylic acid useful as fungicides, to processes for preparing them, to fungicidal compositions containing them, and to methods of combating fungi, especially fungal infections in plants, using them.
    这项发明涉及丙烯酸生物,其作为杀真菌剂有用,涉及制备它们的方法,含有它们的杀真菌组合物,以及使用它们来对抗真菌,特别是在植物中使用它们来对抗真菌感染的方法。
  • Nitrosonium ion catalysis: aerobic, metal-free cross-dehydrogenative carbon–heteroatom bond formation
    作者:Luis Bering、Laura D’Ottavio、Giedre Sirvinskaite、Andrey P. Antonchick
    DOI:10.1039/c8cc08328b
    日期:——
    coupling of heteroarenes with thiophenols and phenothiazines has been developed under mild and environmentally benign reaction conditions. For the first time, NOx+ was applied for catalytic C–S and C–N bond formation. A comprehensive scope for the C–H/S–H and C–H/N–H cross-dehydrogenative coupling was demonstrated with >60 examples. The sustainable cross-coupling conditions utilize ambient oxygen as the
    芳烃吩噻嗪的催化交叉脱氢偶联已在温和且环境友好的反应条件下得到发展。首次将NO x +用于催化C–S和C–N键的形成。用60多个例子证明了C–H / S–H和C–H / N–H交叉脱氢偶联的综合范围。可持续的交叉偶联条件利用环境氧作为末端氧化剂,而是唯一的副产物。
  • [EN] PYRAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH<br/>[FR] DÉRIVÉS DE PYRAZOLE UTILES COMME INHIBITEURS DE FAAH
    申请人:MERCK & CO INC
    公开号:WO2009151991A1
    公开(公告)日:2009-12-17
    The present invention is directed to certain imidazole derivatives which are useful as inhibitors of Fatty Acid Amide Hydrolase (FAAH). The invention is also concerned with pharmaceutical formulations comprising these compounds as active ingredients and the use of the compounds and their formulations in the treatment of certain disorders, including osteoarthritis, rheumatoid arthritis, diabetic neuropathy, postherpetic neuralgia, skeletomuscular pain, and fibromyalgia, as well as acute pain, migraine, sleep disorder, Alzheimer disease, and Parkinson's disease
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    申请人:Vertex Pharmaceuticals Incorporated
    公开号:US20150231142A1
    公开(公告)日:2015-08-20
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表征谱图

  • 氢谱
    1HNMR
  • 质谱
    MS
  • 碳谱
    13CNMR
  • 红外
    IR
  • 拉曼
    Raman
hnmr
mass
cnmr
ir
raman
  • 峰位数据
  • 峰位匹配
  • 表征信息
Shift(ppm)
Intensity
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Assign
Shift(ppm)
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测试频率
样品用量
溶剂
溶剂用量
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