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4-甲基-4-辛醇 | 23418-37-3

中文名称
4-甲基-4-辛醇
中文别名
——
英文名称
4-methyl-4-octanol
英文别名
4-methyloctan-4-ol
4-甲基-4-辛醇化学式
CAS
23418-37-3
化学式
C9H20O
mdl
——
分子量
144.257
InChiKey
RXSIKQJQLQRQQY-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:
    6.15°C (estimate)
  • 沸点:
    82-83℃/18mm
  • 密度:
    0.82
  • 稳定性/保质期:
    如果按照规定使用和储存,则不会发生分解,请避免接触氧化物。

计算性质

  • 辛醇/水分配系数(LogP):
    2.8
  • 重原子数:
    10
  • 可旋转键数:
    5
  • 环数:
    0.0
  • sp3杂化的碳原子比例:
    1.0
  • 拓扑面积:
    20.2
  • 氢给体数:
    1
  • 氢受体数:
    1

安全信息

  • 危险类别码:
    R36/37/38
  • 海关编码:
    2905199090
  • 安全说明:
    S26,S37

SDS

SDS:7faafe0c3a2d8ed9b0d2073e779b2dbf
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反应信息

  • 作为反应物:
    描述:
    4-甲基-4-辛醇2-萘磺酸 作用下, 生成 4-甲基辛烷
    参考文献:
    名称:
    Jamison; Lesslie; Turner, Journal of the Institute of Petroleum, 1949, vol. 35, p. 595
    摘要:
    DOI:
  • 作为产物:
    描述:
    2-戊醇zinc(II) oxide 作用下, 生成 4-甲基-4-辛醇
    参考文献:
    名称:
    The Treatment of Facial Verrucae With the Pulsed Dye Laser
    摘要:
    AbstractObjectives/Hypothesis To evaluate the treatment of facial verrucae with the pulsed dye laser.Study Design A prospective, nonrandomized, nonblinded pilot study evaluating the treatment of facial verrucae with the pulsed dye laser.Methods Twelve patients with facial verrucae (four recalcitrant) were identified and followed in the study in the setting of a tertiary referral center. The treatment consisted of the flash‐lamp pumped pulsed dye laser (585 mn) with a spot size of 5 mm at fluences between 9.0 and 13 J/cm2. Each lesion received one or two pulses with 2 mm of surrounding normal skin included in the treatment. One patient had paring prior to pulse treatment. The patients were examined 3 to 4 weeks after each procedure, and clinical assessment of the lesion was documented.Results Patient ages ranged from 18 to 47 years. Four patients had refractory lesions, and eight patients had never undergone previous treatment. All 12 patients had full resolution of their facial warts after one to three treatment sessions. No complications such as scarring, alopecia, or recurrence were encountered. Follow‐up ranged from 10 to 33 months.Conclusions Pulsed dye laser therapy is highly effective and safe therapy for facial verrucae. This method appears to selectively destroy warts without damaging surrounding skin.
    DOI:
    10.1097/00005537-200209000-00007
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文献信息

  • Introducing Deep Eutectic Solvents to Polar Organometallic Chemistry: Chemoselective Addition of Organolithium and Grignard Reagents to Ketones in Air
    作者:Cristian Vidal、Joaquín García-Álvarez、Alberto Hernán-Gómez、Alan R. Kennedy、Eva Hevia
    DOI:10.1002/anie.201400889
    日期:2014.6.2
    Despite their enormous synthetic relevance, the use of polar organolithium and Grignard reagents is greatly limited by their requirements of low temperatures in order to control their reactivity as well as the need of dry organic solvents and inert atmosphere protocols to avoid their fast decomposition. Breaking new ground on the applications of these commodity organometallics in synthesis under more
    尽管它们具有巨大的合成相关性,但是极性有机锂和格氏试剂的使用受到其对低温的要求的极大限制,以控制它们的反应性,以及需要干燥的有机溶剂和惰性气氛来避免它们快速分解。这些商品有机金属在更环保的条件下在合成中的应用开辟了新天地,这项工作引入了深层溶剂(DES)作为绿色替代介质,可在室温下在空气中对酮进行化学选择性加成。将它们在DES中的反应性与在纯水中观察到的反应性进行比较,表明烷基化试剂正在发生动态活化,与亲和水解相比,亲核加成更有利,
  • [EN] PROCESS<br/>[FR] PROCÉDÉ
    申请人:PHOSPHAGENICS LTD
    公开号:WO2018112512A1
    公开(公告)日:2018-06-28
    An efficient and commercial phosphorylation process of a complex alcohol, such as secondary and tertiary alcohols, with P4O10 at high temperatures, and a product obtained by the process.
    一种高效商业化的磷酸酯化过程,用于复杂醇类(如二级和三级醇),在高温下使用P4O10,以及该过程得到的产品。
  • Selectivity of tetrahydrofuran formation from inactivated aliphatic alcohols by the bromine-silver-salt reaction
    作者:Nina Matheny Roscher、D. Kent Shaffar
    DOI:10.1016/s0040-4020(01)96881-4
    日期:1984.1
    Studies of the bromine-silver carbonate reaction with aliphatic alcohols in which intramoleular δ-H competition is possible are generally quite specific. Loss of tertiary δ- hydrogen occurs preferentially from both tertiary and secondary alfphatic alcohols to yield the most highly substituted cyclic ether. For example, 2,5-dimethyl-2-octanol yields only 2,2,5-trimethyl-5-propyletrahydrofuran as the
    溴-碳酸银与脂肪族醇的反应的研究通常是非常具体的,在脂肪族醇中可能发生分子内δ-H竞争。叔-仲醇和叔-仲醇均优先损失δ-氢,从而生成取代度最高的环醚。例如,2,5-二甲基-2-辛醇仅产生2,2,5-三甲基-5-丙基四氢呋喃作为环醚产物;未检测到2-甲基-2-异戊基四氢呋喃。
  • UV/VISIBLE-ABSORBING VINYLIC MONOMERS AND USES THEREOF
    申请人:Novartis AG
    公开号:US20170242274A1
    公开(公告)日:2017-08-24
    Described herein are UV-absorbing vinylic monomers and their uses in preparing UV-absorbing contact lenses capable of blocking ultra-violet (“UV”) radiation and violet radiation with wavelengths from 380 nm to 440 nm, thereby protecting eyes to some extent from damages caused by UV radiation and potentially from violet radiation.
    本文描述了UV吸收乙烯基单体及其在制备能够阻挡380纳米至440纳米波长的紫外辐射和紫外辐射的UV吸收隐形眼镜中的用途,从而在一定程度上保护眼睛免受紫外辐射和潜在的紫外辐射造成的损害。
  • Estrogen equivalent concentration of 13 branched para-nonylphenols in three technical mixtures by isomer-specific determination using their synthetic standards in SIM mode with GC–MS and two new diasteromeric isomers
    作者:Takao Katase、Keiji Okuda、Yun-Seok Kim、Heesoo Eun、Hideshige Takada、Taketo Uchiyama、Hiroaki Saito、Mitsuko Makino、Yasuo Fujimoto
    DOI:10.1016/j.chemosphere.2007.09.049
    日期:2008.2
    9+/-0.3% to 3.0+/-0.2%. Additionally, structures of four new isomers of more than 1% portion present in a technical mixture were elucidated as two pairs of diastereomeric isomers: two types of 4-(3,4-dimethylheptan-4-yl)phenol (344NP) and those of 4-(3,4-dimethylheptan-3-yl)phenol (343NP). By estrogenic assay of 13 isomers with yeast estrogen screen system, the activity of 3E22NP was the highest, while
    通过SIM的结构特异性离子m / z 135、149或163的合成标准品,使用GC-MS,通过合成标准物,在三种技术混合物中选择了13种支链对壬基酚(对-NP)异构体。在13种异构体中,有4种异构体,分别是4-(2,4-二甲基庚基-4-基)苯酚,4-(4-甲基辛基-4-基)苯酚,4-(3-乙基-2-甲基己-2-基)首先将用于测定的)苯酚(3E22NP)和4-(2,3-二甲基庚基-2-基)苯酚用作标准物质。工业混合物中的13种异构体的质量百分比含量分别超过2%。东京化学工业公司(TCI),Aldrich和Fluka的混合物中的总质量百分比分别为89 +/- 2%,75 +/- 4%和77 +/- 2%。三种混合物中4-(3,6-二甲基庚基-3-基)苯酚的丰度最大,为11.1 +/- 2%至9。9 +/- 0.3%,而4-(2-甲基辛烷-2-基)苯酚最小,为2.9 +/- 0.3%至3.0 +/-
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表征谱图

  • 氢谱
    1HNMR
  • 质谱
    MS
  • 碳谱
    13CNMR
  • 红外
    IR
  • 拉曼
    Raman
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mass
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ir
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  • 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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