CAS: 100-51-6; Phenylmethanol

该化合物是一种无色易燃液体,在各种工业应用中用作溶剂. 其主要优势在于其高沸点,相对低的毒性和与许多有机溶剂的不易接触. 这一化学中间体还具有抗微生物特性,适合医药和化妆品配方.

⚠️产品隶属于《国家禁毒委员会办兰防范八种化学品流入非法渠道用于制毒的警示通告》
英文名称Phenylmethanol
中文名称苯甲醇
IUPAC名称phenylmethanol
其它别名Benzyl Alcohol [fcc]; Benzyl Alcohol [fhfi]; Wln: Q1R; Benzyl Alcohol (Mart.); C6H5Ch2Oh; Phenylcarbinolum; Ulesfia; Benzyl Alcohol (Benzenemethanol); Prot
CAS编号100-51-6
MFCD编号:MFCD00004599
EINECS号:202-859-9
FDA UNII编号:LKG8494WBH
分子式:C7H8O
分子量:108.14
产品CID: 11784
产品分类有机原料→香精香料→花香→花香（复合花束感）

相似结构搜索
产品信息参考;
InChIKey: WVDDGKGOMKODPV-UHFFFAOYSA-N
InChI=1S/C7H8O/c8-6-7-4-2-1-3-5-7/h1-5,8H,6H2…
计算化学: 氢键受体数1.0氢键供体数1.0可旋转键数1.0

相似化合物

3880-99-7 93-89-0 1079-02-3

物理性质

熔点-15.3°C
沸点203-205°C at 760 mmHg
闪点93.89°C
密度1.0±0.1 g/cm3
pKa:14.36±0.10(预测)
PSA:20.23
LogP:1.1789
折射率1.546
蒸汽压0.2±0.4 mmHg at 25°C
溶解性H2O:33 mg/mL，澄清，无色
敏感性1. 避免与氧化剂、酸接触。具伯醇的化学反应性。在氯化锌、三氟化硼等催化剂存在下，酯化得到有机酸酯。在酸催化下与过量的乙醛生成乙缩醛。苄醇氧化得苯甲醛，进一步氧化得苯甲酸。苄醇也可发生硝化、磺化、氯化反应。2. 低毒，但大量附着在皮肤上时具有较强的毒性。大鼠经口LD50:3100mg/kg。生产设备要密闭，防止跑、冒、滴、漏。操作人员要穿戴防护用具。3. 存在于烤烟烟叶、白肋烟烟叶、香料烟烟叶中。4. 天然存在于茉莉、橙花、依兰、袅尾、黄兰、栀子、风信子、金合欢、丁香花、海狸香中。
外观形态无色液体
储存条件Store at room temperature
产品应用用作溶剂,增塑剂,防腐剂, 并用于香料,肥皂,药物,染料等的制造.
性质描述无色透明液体.稍有芳香气味.可燃.熔点-15.4°C,沸点205.4°C,189°C(66.67kPa),141°C(13.33kPa),93°C(1.33kPa),相对密度1.0419(24/4°C),折射率1.53955,闪点100.4°C,自燃点436°C.稍溶于水(1份苯甲醇可溶于40份水),能与乙醇,乙醚,氯仿等混溶.天然存在于素馨花香油,伊兰伊兰油,月下香油等物质中,以游离态或酯类形式存在.

MSDS等安全信息

GHS象形图
GHS符号GHS07;
注释: Exclamation mark
危险类别急性毒性类别4(吸入)
急性毒性类别4(经口)
严重眼刺激类别2
皮肤致敏类别1B
急性毒性类别4(经皮)
严重眼损伤类别1
特定目标器官毒性 - 单次接触类别3
皮肤致敏类别1
皮肤腐蚀/刺激类别2
皮肤致敏类别1A
急性毒性类别3(吸入)
Aquatic Acute 2
严重眼刺激类别2A
警示词Warning(警告)
危险描述H332 |吸入有害.
H302 |吞咽有害.
H319 |造成严重眼刺激.
H317 |可能引起皮肤过敏反应.
H312 |皮肤接触有害.
H318 |造成严重眼损伤.
H336 |可能引起嗜睡或头晕.
H315 |造成皮肤刺激.
H331 |吸入会中毒.
H401 |Toxic to aquatic life
防范说明P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
UN编号UN 1593 6.1/PG 3
危险品标志T:Toxic
安全声明S26-S36/37-S24/25-S23-S53
危险类别码R63,R40,R36/37/38,R43,R20/22,R45,R23/24/25
WGK Germany1

欧盟法规

统一分类与标签REACH注册ECHA物质欧盟化妆品法规附录五-准用防腐剂清单C&L通报欧盟生物杀灭剂法规欧盟《生物杀灭剂法规》REACH预注册废弃物危险特性清单欧盟化妆品法规附录三-限用物质清单ECHA物质工作场所安全标识要求CoRAP评估清单

上下游产品

合成工艺路线路线简述

合成目标产物 Benzyl Alcohol 主要起始原料 Methyl Benzoate
(文献来源)合成步骤主要原料 Methyl Benzoate

甲酸苄酯置于苯硅烷,(Ph2Pprpdi)Mn,Sodium Hydroxide体系中,用水用作溶剂,化学反应 2.25H,以88%的收率获得苯甲醇
参考文献:双(亚氨基)吡啶锰催化羰基和羧酸氢化硅烷化反应机理研究
标题:双(亚氨基)吡啶锰催化羰基和羧酸氢化硅烷化反应机理研究
摘要:我们最近报道了一种双(亚氨基)吡啶(或吡啶二亚胺,Pdi)锰预催化剂,(Ph2Pprpdi)Mn (1),它对酮的氢化硅烷化和酯的二氢硅烷化具有活性.在这项贡献中,我们揭示了 1 介导的氢化硅烷化的扩展范围,并提出了两种不同的催化机制.已经实现了高达 4900 Min-1 的醛氢化硅烷化转换频率 (Tof),这是第一行金属催化羰基氢化硅烷化报告的最高值.此外,1 已显示介导甲酸二氢硅烷化,前导 Tof 可达 330 Min-1.在化学计量和催化条件下,发现将 Phsih3 添加到 (Ph2Pprpdi)Mn 中会导致部分转化为新的抗磁性氢化物.通过将 Naet3Bh 添加到 (Ph2Pprpdi)Mncl2 中,实现了 (Ph2Pprpdi)Mnh (2) 的独立制备,单晶 X 射线衍射分析表明该复合物具有封闭的三角双锥体固态几何形状.当 2,2,2-三氟苯乙酮加入到 1 中时,自由基转移产生
Doi:10.1021/jacs.7B00879

海关参考信息

2905199090-其他饱和一元醇
2905399099-其他二元醇
2905499000-其他多元醇
2905590090-其他无环醇的卤化、磺化等衍生物
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专利信息

专利号:US-11236029-B2
优先权日:2019-05-17
标题 :Synthesis of a triangulene ring system and derivatives thereof
发明人：JOHNSON RICHARD PETER; HOLT CARTER J
权利人:THE UNIV OF NEW HAMPSHIRE; UNIV NEW HAMPSHIRE
摘要:A three step synthesis of the 8,12-dihydro-4H-dibenzo[cd,mn]pyren-3a 2 -ylium cation (triangulenium cation) is effected by cascade cyclization of a tetra-benzyl alcohol precursor in triflic acid solution. This cation is easily observed by NMR and optical spectroscopy. Quenching of the cation into basic solutions or by hydride transfer from triethylsilane provides access to stable dihydro and tetrahydro[3]triangulenes. This route makes several [3]triangulene precursors more readily available for development of new applications in the field of molecular electronics.

专利号:EP-0671928-B1
优先权日:1992-09-24
标题 :Synthesis of n-substituted oligomers
发明人：ZUCKERMANN RONALD N; KERR JANICE M; KENT STEPHEN BRIAN HENRY; MOOS WALTER H; SIMON REYNA J; GOFF DANE A
权利人:CHIRON CORP
摘要:Poly N-substituted Glycines (poly NSGs), wherein the substituents bear purine or pyrimidine bases (R<9>) every second glycine: In addition, a solid phase method for the synthesis of N-substituted oligomers of more general structures is disclosed.The poly NSGs obtainable by this method can have a wide variety of side-chain substituents. Each N-substituted glycine monomer is assembled from two 'sub-monomers' directly on the solid support. Each cycle of monomer addition consists of two steps: (1) acylation of a secondary amine bound to the support with an acylating agent comprising a leaving group capable of nucleophilic displacement by -NH2, such as a haloacetic acid, and (2) introduction of the side-chain by nucleophilic displacement of the leaving group, such as halogen (as a resin-bound alpha -haloacetamide) with a sufficient amount of a second sub-monomer comprising an -NH2 group, such as a primary amine, alkoxyamine, semicarbazide, acyl hydrazide, carbazate or the like. Repetition of the two step cycle of acylation and displacement gives the desired oligomers. The efficient synthesis of a wide variety of oligomeric NSGs using the automated synthesis technology of the present method makes these oligomers attractive candidates for the generation and rapid screening of diverse peptidomimetic libraries. The oligomers of the invention, such as N-substituted glycines (i.e. poly NSGs) disclosed here provide a new class of peptide-like compounds not found in nature, but which are synthetically accessible and have been shown to possess significant biological activity and proteolytic stability.

专利号:US-5118853-A
优先权日:1988-10-13
标题:Processes for the synthesis of 3-disubstituted aminoacroleins
发明人：LEE GEORGE T; REPIC OLJAN
权利人:SANDOZ LTD
摘要:Process for the synthesis of compounds of the formula ##STR1## comprising the steps of (i) reacting a compound of the formula ##STR2## with oxalyl chloride or oxalyl bromide to form the corresponding compound of the formula ##STR3## (ii) reacting said compound of the formula ##STR4## with a compound of the formula ##STR5## to form the corresponding compound of the formula ##STR6## (iii) hydrolyzing said compound of the formula ##STR7## to obtain the corresponding compound of the formula ##STR8## the use of the compounds of the formula ##STR9## for the synthesis of the compounds of the formula ##STR10## and the use of the intermediates of Formula VII for the direct synthesis of the compounds of Formula II, n wherein n R 1 is C 1-3 alkyl, phenyl or phenyl substituted by 1 to 3 substituents each of which is independently C 1-3 alkyl, C 1-3 alkoxy, fluoro, chloro, bromo or nitro (maximum of two nitro groups), n R 1b is phenyl or phenyl substituted by 1 to 3 substituents each of which is independently C 1-3 alkyl, C 1-3 alkoxy, fluoro, chloro, bromo or nitro (maximum of two nitro groups), n R 2 is C 1-3 alkyl, n one of R 3 and R 4 is ##STR11## and the other is primary or secondary C 1-6 alkyl not containing an asymmetric carbon atom, C 3-6 cycloalkyl or phenyl-(CH 2 ) m -, n wherein n R 7 is hydrogen, C 1-3 alkyl, n-butyl, i-butyl, t-butyl, C 1-3 alkoxy, n-butoxy, i-butoxy, trifluoromethyl, fluoro, chloro, phenoxy or benzyloxy, n R 8 is hydrogen, C 1-3 alkyl, C 1-3 alkoxy, trifluoromethyl, fluoro, chloro, phenoxy or benzyloxy, n R 9 is hydrogen, C 1-2 alkyl, C 1-2 alkoxy, fluoro or chloro, and n m is 1, 2 or 3, with the provisos that not more than one of R 7 and R 8 is trifluoromethyl, not more than one of R 7 and R 8 is phenoxy, and not more than one of R 7 and R 8 is benzyloxy, n R 5 is hydrogen, C 1-3 alkyl, n-butyl, i-butyl, t-butyl, C 3-6 cycloalkyl, C 1-3 alkoxy, n-butoxy, i-butoxy, trifluoromethyl, fluoro, chloro, phenoxy or benzyloxy, and n R 6 is hydrogen, C 1-3 alkyl, C 1-3 alkoxy, trifluoromethyl, fluoro, chloro, phenoxy, or benzyloxy, with the provisos that not more than one of R 5 and R 6 is trifluoromethyl, not more than one of R 5 and R 6 is phenoxy, and not more than one of R 5 and R 6 is benzyloxy, n R 10 is C 1-6 alkyl, each X is chloro or bromo, and each X.sup.âŠ– is chloride or bromide.

专利号:US-8193384-B2
优先权日:2005-07-29
标题 :Polymer-bound phosphitylating reagents for the synthesis of organophosphorus compounds
发明人：PARANG KEYKAVOUS; AHAMDIBENI YOUSEF
权利人:PARANG KEYKAVOUS; AHAMDIBENI YOUSEF; RHODE ISLAND EDUCATION
摘要:The synthesis and biochemical utility of modified oligonucleotides containing diphosphodiester internucleotide linkages. The synthesis of these compounds was carried out using diphosphitylating reagents. Oligonucleotides containing diphosphate diester bridges wherein said oligonucleotides are synthesized via a solid-phase synthesis strategy to form modified oligonucleotides. Diphosphitylating, triphosphitylating, tetraphosphitylating, Î²-triphosphitylating, bifunctional diphosphitylating, bifunctional triphosphitylating, and bifunctional tetraphosphitylating reagents wherein, the phosphorus atoms are linked together through oxygen, sulfur, amino, or methylene groups and/or are substituted with chlorine, diisopropylamine and cyanoethoxy groups.

专利号:WO-9312076-A1
优先权日:1991-12-13
标题:Reagents for automated synthesis of peptide analogs
发明人：WEBB THOMAS ROY
权利人:CORVAS INT INC
摘要:Reagents suitable for synthesis of peptide analogs using automated peptide synthesis and procedures for synthesis of peptide analogs are provided.

专利号:US-2024383836-A1
优先权日:2022-01-28
标题:Synthesis of multi-ring disalicylate linkers
发明人：KAPELEWSKI MATTHEW T; WESTON SIMON C; FALER CATHERINE A
权利人:EXXONMOBIL TECHNOLOGY & ENGINEERING COMPANY
摘要:Systems and methods are provided for synthesizing multi-ring disalicylate linkers. The systems and methods can allow for synthesis of disalicylate linkers while using a reduced or minimized amount of solvent (such as down to potentially having no separate solvent) in the reaction environment. The synthesis can be performed by starting with a compound such as 4,4â€²-biphenol as a starting reagent. The 4,4â€²-biphenol (and/or other alcohol-substituted biphenyl compound) can then be exposed in a reaction environment to pressurized CO 2 in the presence of a base. The temperature and pressure in the reaction environment can be increased to achieve either supercritical conditions for the CO 2 (based on a phase diagram for neat CO 2 ) and/or sub-critical conditions that are substantially similar to supercritical conditions. This can allow for conversion of the 4,4â€²-biphenol (or other alcohol-substituted biphenyl compound) into a multi-ring disalicylate linker.

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苯甲醇
质量标准: 药典四部
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100-51-6
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0.999
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主要参考文献

[参考文献]: Aditya M Kunjapur, Et Al. Synthesis And Accumulation Of Aromatic Aldehydes In An Engineered Strain Of Escherichia Coli. J Am Chem Soc. 2014 Aug 20;136(33):11644-54.
[参考文献]: B Nair, Et Al. Final Report On The Safety Assessment Of Benzyl Alcohol, Benzoic Acid, And Sodium Benzoate. Int J Toxicol. 2001:20 Suppl 3:23-50.
[参考文献]: Chong Xiao, Et Al. Real-Time Monitoring Of H2O2 Release From Single Cells Using Nanoporous Gold Microelectrodes Decorated With Platinum Nanoparticles. Analyst. 2015 Jun 7;140(11):3753-8.
[参考文献]: Léo Aubert, Et Al. Ngf-Induced Trka/cd44 Association Is Involved In Tumor Aggressiveness And Resistance To Lestaurtinib. Oncotarget. 2015;6(12):9807-19.
[参考文献]: Pascal Fuchsmann, Et Al. Olfactometry Profiles And Quantitation Of Volatile Sulfur Compounds Of Swiss Tilsit Cheeses. J Agric Food Chem. 2015 Sep 2;63(34):7511-21.

合成参考文献

参考文献:10.1159/000088841
摘要:Chatterjee S, Mallick S, Dutta TK. Pathways in the degradation of hydrolyzed alcohols of butyl benzyl phthalate in metabolically diverse Gordonia sp. strain MTCC 4818. J Mol Microbiol Biotechnol. 2005;9(2):110–20. doi: 10.1159/000088841.
参考文献:10.1016/j.ijpharm.2011.06.047
摘要:Vay K, Scheler S, Frieß W. Application of Hansen solubility parameters for understanding and prediction of drug distribution in microspheres. International Journal of Pharmaceutics. 2011 Sep;416(1):202–9. doi: 10.1016/j.ijpharm.2011.06.047.
参考文献:10.1136/thx.2010.156695
摘要:Ibrahim B, Basanta M, Cadden P, Singh D, Douce D, Woodcock A, Fowler SJ. Non-invasive phenotyping using exhaled volatile organic compounds in asthma. Thorax. 2011 Sep;66(9):804–9. doi: 10.1136/thx.2010.156695.
参考文献:10.1107/s160053681100924x
摘要:Zhang Y, Zhang YN, Liu MM, Ryu KC, Ye DY. (E)-3-(8-Benz-yloxy-2,3-dihydro-1,4-benzodioxin-6-yl)-1-[2-hy-droxy-4,6-bis-(meth-oxy-meth-oxy)phen-yl]prop-2-en-1-one. Acta Crystallogr Sect E Struct Rep Online. 2011 Apr 01;67(Pt 4):o912–3.
参考文献:10.1107/s1600536811016588
摘要:Patrick BO, Rock C, Abd-El-Aziz AS. Dibenzyl ferrocene-1,1'-dicarboxyl-ate. Acta Crystallogr Sect E Struct Rep Online. 2011 Jun 01;67(Pt 6):m741.

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CAS: 100-51-6; Phenylmethanol

该化合物是一种无色易燃液体,在各种工业应用中用作溶剂. 其主要优势在于其高沸点,相对低的毒性和与许多有机溶剂的不易接触. 这一化学中间体还具有抗微生物特性,适合医药和化妆品配方.

相似化合物

物理性质

MSDS等安全信息

欧盟法规

上下游产品

合成工艺路线路线简述

海关参考信息

专利信息

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