特拉斯麝香 | 68140-48-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 茚满类
• 中文名称: 特拉斯麝香
• 中文别名: 6-乙酰基-1-异丙基-2,3,3,5-四甲基茚满；1-[2,3-二氢-1,1,2,6-四甲基-3-(1-甲基乙基)-1H-茚-5-基]乙酮；5-乙酰基-1,1,2,6-四甲基-3-异丙基茚满；特拉赛麝香；1-[2,3-二氢-1,1,2,6-四甲基-3-(1-甲基乙基)-1H-茚-5-基]-乙酮
• 英文名称: 1-[2,3-dihydro-1,1,2,6-tetramethyl-3-(1-methylethyl)-1H-inden-5-yl]-ethanone
• 英文别名: 1-[2,3-dihydro-1,1,2,6-tetramethyl-3-(1-methylethyl)-1H-inden-5-yl]ethanone；5-Acetyl-1,1,2,6-tetramethyl-3-isopropylindane；5-acetyl-1,1,2,6-tetramethyl-3-isopropylindan；traseolide；6-acetyl 1-isopropyl 2,3,3,5-tetramethyl indane；Traseolide(R)；1-(1,1,2,6-tetramethyl-3-propan-2-yl-2,3-dihydroinden-5-yl)ethanone
• CAS: 68140-48-7
• 化学式: C₁₈H₂₆O
• 分子量: 258.404
• InChiKey: IMRYETFJNLKUHK-UHFFFAOYSA-N

物化性质

• 沸点：
  350.0±31.0 °C(Predicted)
• 密度：
  0.933±0.06 g/cm3(Predicted)
• 溶解度：
  可溶于氯仿（少许）、乙酸乙酯（少许）、甲醇（少许）
• LogP：
  5.018 (est)
• 颜色/状态：
  Liquid
• 气味：
  Characteristic
• 熔点：
  -50 °C at 101.325 kPa
• 蒸汽压力：
  9.0X10-3 mm Hg (1.2 Pa)
• 折光率：
  Index of refraction = 1.5301 at 20 °C/D
• 保留指数：
  1829.2;1829.9

计算性质

• 辛醇/水分配系数(LogP)：
  5.1
• 重原子数：
  19
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.61
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

ADMET

毒理性

• 毒性总结

鉴定和使用：1-(2,3-二氢-1,1,2,6-四甲基-3-(1-甲基乙基)-1H-茚-5-基)乙酮是一种合成的多环麝香香料，用于加香肥皂和化妆品。人体研究：在体外用人类淋巴细胞的微核试验中，在存在和不存在代谢激活的情况下进行了遗传毒性检测，未发现遗传毒性。动物研究：使用鼠伤寒沙门氏菌/哺乳动物微粒体试验，以鼠伤寒沙门氏菌TA97、TA98、TA100和TA102菌株进行突变性检测，在有和无代谢激活的情况下均为阴性。

IDENTIFICATION AND USE: 1-(2,3-Dihydro-1,1,2,6-tetramethyl-3-(1-methylethyl)-1H-inden-5-yl)ethanone is a synthetic polycyclic musk fragrance used in perfuming soap and cosmetics. HUMAN STUDIES: It was examined for genotoxicity in the micronucleus test with human lymphocytes in vitro in the presence and absence of metabolic activation and revealed no genotoxicity. ANIMAL STUDIES: It was negative when tested for mutagenicity using the Salmonella/mammalian microsome assay with Salmonella typhimurium strains TA97, TA98, TA100 and TA102 with and without metabolic activation.

来源:Hazardous Substances Data Bank (HSDB)

毒理性

• 解毒与急救

/SRP:/ 立即急救：确保已经进行了充分的中毒物清除。如果患者停止呼吸，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，按训练操作。如有必要，执行心肺复苏。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，让患者前倾或置于左侧卧位（如果可能的话，头部向下）以保持呼吸道畅通，防止吸入性肺炎。保持患者安静，维持正常体温。寻求医疗救助。 /毒物A和B/

/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 if 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. /Poisons A and B/

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。观察呼吸不足的迹象，如有需要，协助通气。通过非循环呼吸面罩以10至15升/分钟的速度给予氧气。监测肺水肿，如有必要，进行治疗……。监测休克，如有必要，进行治疗……。预期癫痫发作，如有必要，进行治疗……。对于眼睛污染，立即用水冲洗眼睛。在运输过程中，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，有强烈的咳嗽反射，并且不流口水，则用水冲洗口腔，并给予5毫升/千克，最多200毫升的水进行稀释……。在去污后，用干燥的灭菌敷料覆盖皮肤烧伤……。/毒药A和B/

/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 needed. Administer oxygen by nonrebreather mask at 10 to 15 L/min. Monitor for pulmonary edema and treat if necessary ... . Monitor for shock and treat if necessary ... . Anticipate seizures and treat if necessary ... . 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 ... . Cover skin burns with dry sterile dressings after decontamination ... . /Poisons A and B/

来源:Hazardous Substances Data Bank (HSDB)

毒理性

• 解毒与急救

/SRP:/ 高级治疗：对于昏迷、严重肺水肿或严重呼吸困难的病人，考虑进行口咽或鼻咽插管以控制气道。使用带气囊的面罩进行正压通气技术可能有益。考虑使用药物治疗肺水肿……。对于严重的支气管痉挛，考虑给予β激动剂，如沙丁胺醇……。监测心率和必要时治疗心律失常……。开始静脉输注5%葡萄糖水（D5W），保持通路开放，最低流量/ SRP: "To keep open", minimal flow rate /. 如果出现低血容量的迹象，使用0.9%生理盐水（NS）或乳酸钠林格液（LR）。对于伴有低血容量迹象的低血压，谨慎给予液体。注意液体过载的迹象……。用安定（地西泮）或劳拉西泮（阿蒂万）治疗癫痫……。使用丙美卡因氢氯化物协助眼部冲洗……。/毒素A和B/

/SRP:/ Advanced treatment: Consider orotracheal or nasotracheal intubation for airway control in the patient who is unconscious, has severe pulmonary edema, or is in severe respiratory distress. Positive-pressure ventilation techniques with a bag valve mask device may be beneficial. Consider drug therapy for pulmonary edema ... . Consider administering a beta agonist such as albuterol for severe bronchospasm ... . Monitor cardiac rhythm and treat arrhythmias as necessary ... . Start IV administration of D5W TKO /SRP: "To keep open", minimal flow rate/. Use 0.9% saline (NS) or lactated Ringer's (LR) if signs of hypovolemia are present. For hypotension with signs of hypovolemia, administer fluid cautiously. Watch for signs of fluid overload ... . Treat seizures with diazepam (Valium) or lorazepam (Ativan) ... . Use proparacaine hydrochloride to assist eye irrigation ... . /Poisons A and B/

来源:Hazardous Substances Data Bank (HSDB)

毒理性

• 人类毒性摘录

遗传毒性/ 合成的多环麝香香料化合物 galaxolide（1,3,4,6,7,8-六氢-4,6,6,7,8,8-六甲基环戊二烯-(g)-2-苯并吡喃）、tonalide（7-乙酰基-1,1,3,4,4,6-六甲基四氢喹啉）、celestolide（4-乙酰基-1,1-二甲基-6-叔丁基茚）、phaNTolide（6-乙酰基-1,1,2,3,3,5-六甲基茚）、cashmeran（6,7-二氢-1,1,2,3,3-五甲基-4-(5H)茚酮）和 traseolide（5-乙酰基-1,1,2,6-四甲基-3-异丙基茚）在体外人淋巴细胞微核试验（MNT）中进行了遗传毒性检测，试验中包含了含有大鼠肝脏S9和外源代谢系统的人肝癌细胞系Hep G2。化合物浓度一直用到细胞毒剂量。Galaxolide、tonalide、celestolide、phaNTolide、cashmeran 和 traseolide 在人淋巴细胞和人肝癌细胞系Hep G2的微核试验中没有显示出遗传毒性。

/GENOTOXICITY/ The synthetic polycyclic musk fragrance compounds galaxolide (1,3,4,6,7,8-hexahydro-4,6,6,7,8,8-hexamethylcyclopenta-(g)-2-benzopyrane), tonalide (7-acetyl-1,1,3,4,4,6-hexamerthyltetraline), celestolide (4-acetyl-1,1-dimethyl-6-tert-butylindane), phantolide (6-acetyl-1,1,2,3,3,5-hexamethylindane), cashmeran (6,7-dihydro-1,1,2,3,3-pentamethyl-4-(5H) indanone) and traseolide (5-acetyl-1,1,2,6-tetramethyl-3-isopropylindane) were examined for their genotoxicity in the micronucleus test (MNT) with human lymphocytes in vitro in the presence and absence of an exogenous metabolizing system containing rat liver S9 and the metabolically competent human hepatoma cell line Hep G2. Compound concentrations were employed up to cytotoxic doses. Galaxolide, tonalide, celestolide, phantolide, cashmeran and traseolide revealed no genotoxicity in the micronucleus test with human lymphocytes and with the human hepatoma cell line Hep G2.

来源:Hazardous Substances Data Bank (HSDB)

反应信息

• 作为产物：
  描述：

  乙酰氯 、 3-(异丙基)-1,1,2,6-四甲基茚满 在 AlCl₃ 作用下， 以 硝基甲烷 为溶剂， 以95%的产率得到特拉斯麝香
  参考文献：
  名称：

  Novel acyl-polyalkylindan compounds and the use thereof as a base for

  摘要：

  新型酰基聚烷基茚化合物及其作为香水基础的用途，以及香水配方、香料材料和香料制品。

  公开号：

  US04352748A1

文献信息

• [EN] ANTIMICROBIAL ORGANOSILANES<br/>[FR] ORGANOSILANES ANTIMICROBIENS
  申请人：TOPIKOS PHARMACEUTICALS INC

  公开号：WO2021077119A1

  公开（公告）日：2021-04-22

  Organosilicon quaternary ammonium compounds, their formulations, including powdered and solid formulations, and methods of use to treat infections in humans and animals.

  有机硅季铵化合物，它们的配方，包括粉末和固体配方，以及用于治疗人类和动物感染的方法。
• [EN] ESTERS AND ETHERS OF 2,2,4,4-TETRAMETHYLCYCLOBUTANE-1,3-DIOL FOR USE AS AROMA CHEMICALS<br/>[FR] ESTERS ET ÉTHERS DE 2,2,4,4-TÉTRAMÉTHYLCYCLOBUTANE -1,3-DIOL DESTINÉS À ÊTRE UTILISÉS EN TANT QUE PRODUITS CHIMIQUES AROMATIQUES
  申请人：BASF SE

  公开号：WO2019048544A1

  公开（公告）日：2019-03-14

  The present invention relates to the use of a compound of the general formula (I) wherein R1 is C1-C4-alkyl or -(C=0)-R3, R2 is hydrogen, C1-C4-alkyl or -(C=0)-R4, and R3 and R4, independently of one another, are selected from the group consisting of hydrogen and C1-C4-alkyl, a stereoisomer thereof or a mixture of stereoisomers thereof, as an aroma chemical, to aroma chemical compositions comprising at least one compound of the general formula (I), a stereoisomer thereof or a mixture of stereoisomers thereof, and to a method for preparing a fragranced ready-to-use composition, which comprises incorporating at least one compound of the general formula (I), a stereoisomer thereof or a mixture of stereoisomers thereof, into a ready- to-use composition. The present invention further relates to specific ethers and specific esters of the compounds of the general formula (I) and a method for their preparation.

  本发明涉及使用一般式(I)的化合物，其中R1是C1-C4-烷基或-(C=0)-R3，R2是氢、C1-C4-烷基或-(C=0)-R4，R3和R4彼此独立地选自氢和C1-C4-烷基的群，其立体异构体或其立体异构体混合物，作为香料化学品，以及包含至少一种一般式(I)的化合物、其立体异构体或其立体异构体混合物的香料化学品组合物，以及制备香味即用组合物的方法，该方法包括将至少一种一般式(I)的化合物、其立体异构体或其立体异构体混合物纳入即用组合物中。本发明还涉及一般式(I)化合物的特定醚和特定酯以及它们的制备方法。
• DERIVATIVES OF 1-(4-METHYLCYCLOHEXYL)-ETHANOLS
  申请人：Symrise AG

  公开号：US20170002294A1

  公开（公告）日：2017-01-05

  The invention relates to mixtures having: components (a) having at least one fragrance of the formula (I) where R1=OC-R2, CH 2 OR3, C1-C8 open-chain or branched aliphatic radical, optionally substituted and/or unsaturated, with R2=an open-chain or branched aliphatic radical, optionally substituted and/or unsaturated, having 2-10 C atoms, with R3=an open-chain or branched aliphatic radical, optionally substituted and/or unsaturated, having 1-8 C atoms, and components (b) having at least one fragrance, different from the fragrances of component a, characterized in that the weight ratio of all components (a) to all components (b) is from 1:10 to 1:10000.

  该发明涉及具有以下特征的混合物：组分(a)至少具有一个符合以下式(I)的香料，其中R1=OC-R2，CH2OR3，C1-C8开链或支链脂肪基，可选择地取代和/或不饱和，其中R2=一个开链或支链脂肪基，可选择地取代和/或不饱和，含有2-10个碳原子，其中R3=一个开链或支链脂肪基，可选择地取代和/或不饱和，含有1-8个碳原子，以及组分(b)至少具有一个与组分a的香料不同的香料，其特征在于所有组分(a)与所有组分(b)的重量比为1:10至1:10000。
• Precursors for fragrant ketones and fragrant aldehydes
  申请人：Givaudan SA

  公开号：EP1262473A1

  公开（公告）日：2002-12-04

  The present invention refers to fragrance precursors of formula I for a fragrant ketone of formula II and one or more fragrant aldehydes or ketones of formula III and IV, These fragrance precursors are useful in perfumery, especially in the fine and functional perfumery.

  本发明涉及公式I的香气前体，用于公式II的芳香酮和公式III和IV的一个或多个芳香醛或酮，这些香气前体在香水制造中特别有用，尤其是在精细和功能性香水中。
• Ambergris and/or indole-like compositions of odoriferous substances
  申请人：SYMRISE AG

  公开号：US10920169B2

  公开（公告）日：2021-02-16

  The present invention primarily relates to the use of one or more compound(s) of formula (I) as fragrance, wherein R is methyl or ethyl and R1 is H, methyl or ethyl. The invention further relates to new fragrance compositions comprising one or more compound(s) of formula (I), as described herein, the use of said fragrance compositions, perfumed articles comprising said fragrance compositions, and various methods of perfuming said articles or for imparting, modifying and/or enhancing certain olfactory notes.

  本发明主要涉及将一个或多个式(I)化合物作为香精使用，其中R为甲基或乙基，R1为H、甲基或乙基。该发明还涉及包含一个或多个式(I)化合物的新香精组合物，所述组合物的使用，包含所述香精组合物的香水制品，以及用于给制品添加、改变和/或增强某些嗅觉音符的各种香水方法。