tert-Butylphenyl diphenyl phosphate | 83242-23-3

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机磷酸及其衍生物
• 英文名称: tert-Butylphenyl diphenyl phosphate
• 英文别名: (2-tert-butylphenyl) diphenyl phosphate
• CAS: 83242-23-3
• 化学式: C₂₂H₂₃O₄P
• 分子量: 382.4
• InChiKey: VDIFKDMFGPIVCQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.6
• 重原子数：
  27
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  44.8
• 氢给体数：
  0
• 氢受体数：
  4

ADMET

代谢

研究了对叔丁基苯基二苯基磷酸酯（BPDP）的真菌代谢。 Cunninghamella elegans与BPDP孵育7天，形成的代谢物通过薄层、气液或高压液相色谱分离，并通过(1)H核磁共振和质谱技术鉴定。 C. elegans主要在叔丁基部分代谢BPDP，形成羧酸4-(2-羧基-2-丙基)三苯基磷酸。此外，还检测到了4-羟基-4'-(2-羧基-2-丙基)三苯基磷酸、三苯基磷酸、二苯基磷酸、4-(2-羧基-2-丙基)二苯基磷酸、2-(4-羟基苯基)-2-甲基丙酸和酚。在检查了其对BPDP代谢能力的28种真菌培养物中也发现了类似的代谢物。使用[(14)C]BPDP的实验表明，C. elegans在7天内代谢了70%的BPDP，有机溶性代谢物与水溶性代谢物的比例为8:2。结果表明，真菌优先在烷基侧链和芳香环上氧化BPDP，形成羟基衍生物。在C. elegans中检测到的微量单和二芳基代谢物以及测量的低水平磷酸三酯酶活性表明，磷酸酶裂解是真菌代谢BPDP的次要途径。

The fungal metabolism of tert-butylphenyl diphenyl phosphate (BPDP) was studied. Cunninghamella elegans was incubated with BPDP for 7 days, and the metabolites formed were separated by thin-layer, gas-liquid, or high-pressure liquid chromatography and identified by (1)H nuclear magnetic resonance and mass spectral techniques. C. elegans metabolized BPDP predominantly at the tert-butyl moiety to form the carboxylic acid 4-(2-carboxy-2-propyl)triphenyl phosphate. In addition, 4-hydroxy-4'-(2-carboxy-2-propyl)triphenyl phosphate, triphenyl phosphate, diphenyl phosphate, 4-(2-carboxy-2-propyl)diphenyl phosphate, 2-(4-hydroxyphenyl)-2-methyl propionic acid, and phenol were detected. Similar metabolites were found in the 28 fungal cultures which were examined for their ability to metabolize BPDP. Experiments with [(14)C]BPDP indicated that C. elegans metabolized 70% of the BPDP after 7 days and that the ratio of organic-soluble metabolites to water-soluble metabolites was 8:2. The results indicate that fungi preferentially oxidize BPDP at the alkyl side chain and at the aromatic rings to form hydroxylated derivatives. The trace levels of mono- and diaryl metabolites and the low level of phosphotriesterase activity measured in C. elegans indicate that phosphatase cleavage is a minor pathway for fungal metabolism of BPDP.

来源:Hazardous Substances Data Bank (HSDB)

毒理性

• 解毒与急救

/SRP:/ 紧急急救：确保已经进行了充分的中和。如果患者停止呼吸，请开始人工呼吸，最好使用需求阀复苏器、袋阀面罩装置或口袋面罩，按训练进行操作。根据需要进行心肺复苏。立即用缓慢流动的水冲洗受污染的眼睛。不要催吐。如果发生呕吐，让患者前倾或将其置于左侧（如果可能的话，头部向下），以保持呼吸道畅通，防止吸入。保持患者安静，维持正常体温。获取医疗救助。 /三正丙基磷酸酯（TOCP）及其相关化合物/

/SRP:/ Immediate first aid: Ensure that adequate decontamination has been carried out. If patient is not breathing, start artificial respiration, preferably with a demand-valve resuscitator, bag-valve-mask device, or pocket mask, as trained. Perform CPR as necessary. Immediately flush contaminated eyes with gently flowing water. Do not induce vomiting. If vomiting occurs, lean patient forward or place on left side (head-down position, if possible) to maintain an open airway and prevent aspiration. Keep patient quiet and maintain normal body temperature. Obtain medical attention. /Tri-Ortho-Cresyl Phosphate (TOCP) and Related Compounds/

来源:Hazardous Substances Data Bank (HSDB)

毒理性

• 解毒与急救

/SRP:/ 基本治疗：建立专利气道（如有需要，使用口咽或鼻咽气道）。如有必要，进行吸痰。密切观察呼吸不足的迹象，如有必要，进行辅助通气。通过非重复呼吸面罩以10至15升/分钟的速度给予氧气。对于眼睛污染，立即用水冲洗眼睛。在转运过程中，用0.9%的生理盐水（NS）连续冲洗每只眼睛……。不要使用催吐剂。对于摄入，如果患者能够吞咽，有强烈的呕吐反射，并且不流口水，用水冲洗口腔，并给予5毫升/千克，最多200毫升的水进行稀释。给予活性炭……。/三正丙基磷酸酯（TOCP）及其相关化合物/

/SRP:/ Basic treatment: Establish a patent airway (oropharyngeal or nasopharyngeal airway, if needed). Suction if necessary. Watch for signs of respiratory insufficiency and assist ventilations if necessary. Administer oxygen by nonrebreather mask at 10 to 15 L/min. For eye contamination, flush eyes immediately with water. Irrigate each eye continuously with 0.9% saline (NS) during transport ... . Do not use emetics. For ingestion, rinse mouth and administer 5 mL/kg up to 200 mL of water for dilution if the patient can swallow, has a strong gag reflex, and does not drool. Administer activated charcoal ... . /Tri-Ortho-Cresyl Phosphate (TOCP) and Related Compounds/

来源:Hazardous Substances Data Bank (HSDB)

毒理性

• 解毒与急救

/SRP:/ 高级处理：使用丙美卡因盐酸协助眼部冲洗... . /三正丙基磷酸酯（TOCP）及相关化合物/

/SRP:/ Advanced treatment: Use proparacaine hydrochloride to assist eye irrigation ... . /Tri-Ortho-Cresyl Phosphate (TOCP) and Related Compounds/

来源:Hazardous Substances Data Bank (HSDB)

毒理性

• 非人类毒性摘录

/遗传毒性/叔丁基苯基二苯基磷酸在沙门氏菌/微粒体预培养试验中进行了致突变性评估，使用的是国家毒理学计划批准的标准协议。在四种沙门氏菌伤寒杆菌菌株（TA98、TA100、TA1535和TA1537）中，测试了0、100、333、1000、3333和10,000微克/平板的剂量，并在有和无Aroclor诱导的大鼠或仓鼠肝脏S9的情况下进行了测试。这些测试结果为阴性，在任何沙门氏菌测试菌株中测试的最高无效剂量水平（未引起沉淀）为3333微克/平板。

/GENOTOXICITY/ t-Butylphenyl diphenyl phosphate was evaluated for mutagenicity in the Salmonella/microsome preincubation assay using the standard protocol approved by the National Toxicology Program. Doses of 0, 100, 333, 1000, 3333, and 10,000 ug/plate were tested in four Salmonella typhimurium strains (TA98, TA100, TA1535, and TA1537) in the presence and absence of Aroclor-induced rat or hamster liver S9. These tests were negative and the highest ineffective dose level tested (not causing a precipitate) in any Salmonella tester strain was 3333 ug/plate.

来源:Hazardous Substances Data Bank (HSDB)

文献信息

• High refractive index pressure-sensitive adhesives
  申请人：Olson B. David

  公开号：US20050272949A1

  公开（公告）日：2005-12-08

  The present invention provides pressure-sensitive adhesives having a refractive index of at least 1.48. The pressure-sensitive adhesives comprise at least one monomer containing a substituted or an unsubstituted aromatic moiety.

  本发明提供了折射率至少为1.48的压敏胶粘剂。这些压敏胶粘剂包括至少一种含有取代或未取代芳香基团的单体。
• [EN] NOVEL TETRAOXASPIRO[5.5]UNDECANE BASED PHOSPHATE COMPOUNDS AND THEIR USE AS FLAME RETARDANTS<br/>[FR] NOUVEAUX COMPOSÉS DE PHOSPHATE À BASE DE TÉTRAOXASPIRO[5.5]UNDÉCANE ET LEUR UTILISATION COMME IGNIFUGEANTS
  申请人：PERSTORP AB

  公开号：WO2013058690A1

  公开（公告）日：2013-04-25

  The present invention refers to a novel phosphate compound of Formula (I), wherein n is an integer and at least 1, p and q individually is 0 or an integer between 1 and 10, substituents R1 and R2 individually is (i) a linear or branched C1-C6 divalent alkyl group optionally substituted by an aromatic ring, or (ii) a group of formula -R3-0- wherein R3 is a C1-C6 divalent alkyl group, and wherein Ar is an aromatic ring, optionally substituted by at least one linear or branched C1-C6 alkyl group. The present invention in further aspects refers to a process for the production of said novel phosphate and to the use of said novel phosphate as flame retardant.

  本发明涉及一种新型磷酸盐化合物，其化学式为（I），其中n是一个整数且至少为1，p和q分别为0或介于1和10之间的整数，取代基R1和R2分别是（i）线性或支链的C1-C6二价烷基基团，可选择地被芳香环取代，或（ii）具有化学式-R3-O-的基团，其中R3是C1-C6二价烷基基团，Ar是一个芳香环，可选择地被至少一个线性或支链的C1-C6烷基基团取代。本发明还涉及一种用于制备所述新型磷酸盐的方法，并将所述新型磷酸盐用作阻燃剂。
• ANTI-WEAR AGENTS WITH A REDUCED NEUROTOXICITY
  申请人：Frapin Pascal

  公开号：US20120101015A1

  公开（公告）日：2012-04-26

  Described is a lubricating composition of an anti-wear agent or a combination of anti-wear agents having a reduced neurotoxicity, the anti-wear agent(s) being selected from triaryl phosphate compounds preferably substituted with one or more linear or branched alkyl group(s) including from 2 to 12 carbon atoms.

  描述了一种具有降低神经毒性的抗磨剂或抗磨剂组合的润滑组合物，所述抗磨剂被选择自三芳基磷酸酯化合物，最好是取代有一个或多个线性或支链烷基基团（包括2至12个碳原子）的化合物。
• [EN] MONOHYDROXY CYCLIC PHOSPHONATE SUBSTANTIALLY FREE OF POLYHYDOXY PHOSPHONATE, PROCESS FOR MAKING SAME AND FLAME RETARDANT FLEXIBLE POLYURETHANE FOAM OBTAINED THEREFROM<br/>[FR] PHOSPHONATE MONOHYDROXY CYCLIQUE SENSIBLEMENT EXEMPT DE PHOSPHONATE POLYHYDROXY, SON PROCÉDÉ DE FABRICATION ET MOUSSE SOUPLE DE POLYURÉTHANNE IGNIFUGE OBTENUE AVEC CE COMPOSÉ
  申请人：ICL IP AMERICA INC

  公开号：WO2012040074A1

  公开（公告）日：2012-03-29

  A monohydroxy cyclic phosphonate substantially free of polyhydroxy phosphonate is employed as a reactive flame retardant in flexible polyurethane.

  在柔性聚氨酯中，使用基本上不含多羟基膦酸酯的单羟基环状膦酸酯作为反应性阻燃剂。
• [EN] PROCESS FOR THE PREPARATION OF A TRIARYL PHOSPHATE ESTER COMPOSITION<br/>[FR] PROCÉDÉ DE PRÉPARATION D'UNE COMPOSITION DE PHOSPHATE ESTER DE TRIARYLE
  申请人：PCC ROKITA SA

  公开号：WO2017140609A1

  公开（公告）日：2017-08-24

  The invention relates to a process for the preparation of a triaryl phosphate ester composition comprising a. reacting a phosphorous oxyhalide with a (C1-C15-alkyl)phenol to obtain a first product; b. reacting the first product with phenol to obtain a triaryl phosphate ester composition; wherein in step a., for every mol of phosphorous oxyhalide 1.3 to 1.6 mols of (C1-C15-alkyl)phenol are used. The invention also relates to a triaryl phosphate ester composition obtainable according to the process of the invention.

  本发明涉及一种制备三芳基磷酸酯组合物的过程，包括a.将磷氧卤素与（C1-C15烷基）苯酚反应以获得第一产物；b.将第一产物与苯酚反应以获得三芳基磷酸酯组合物；其中在步骤a中，对于每个摩尔的磷氧卤素，使用1.3至1.6摩尔的（C1-C15烷基）苯酚。本发明还涉及一种根据本发明方法获得的三芳基磷酸酯组合物。