计算溶液所需的质量、体积或浓度。
| 活性类型 | Relation | Activity value | Units | Action Type | 期刊 | PubMed Id | doi | Assay Aladdin ID |
|---|
为什么选择此级别
，适用于对基线干扰要求严格的色谱和分析工作流程。
储存与运输
-80℃储存。特低温运输 。请查阅批次 COA 获取详细规格。
质量文档
SDS、COA、产品数据表及规格说明书均可下载。可通过批号查询获取批次 COA。
文献证明
在色谱分析、有机合成和交叉偶联反应领域已被 396 篇同行评审文献引用。
概述
微有芳香气味，灼烧味。可燃，自燃点436℃。久贮可受空气中氧化而成苯甲醛，故有苦杏仁气味。易溶于丙酮，溶于醇、醚及氯仿，微溶于水（1份苯甲醇可溶于40份水）。有刺激性。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。
规格
别名
苄醇
英文别名
BENZYL ALCOHOL [FCC] | BENZYL ALCOHOL [FHFI] | NSC 8044 | WLN: Q1R | Caswell No. 081F | E-1519 | FEMA No. 2137 | Hydroxymethyl resin (100-200 mesh) | BENZYL ALCOHOL (MART.) | C6H5CH2OH | Phenylcarbinolum | Ulesfia | Benzyl alcohol (Benzenemethanol) | Protocoxil | a-Hydroxytoluene | ph
规格或纯度
10mM in DMSO
英文名称
Benzyl alcohol
储存条件
-80℃储存
运输条件
特低温运输
作用类型
激活剂
名称和识别符
PubChem SID
EC号
202-859-9
分子类型
小分子
IUPAC Name
phenylmethanol
INCHI
1S/C7H8O/c8-6-7-4-2-1-3-5-7/h1-5,8H,6H2
InChi Key
WVDDGKGOMKODPV-UHFFFAOYSA-N
Smiles
C1=CC=C(C=C1)CO
Isomeric SMILES
C1=CC=C(C=C1)CO
分子量
108.14
Beilstein号
878307
Reaxy-Rn
878307
Reaxys-RN link address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=878307&ln=
技术文档
高级数据
系统学分类
分类树（Taxonomy Tree）
| 界（kingdom) | 有机化合物 |
|---|---|
| 超类（Superclass) | 苯类化合物 |
| 类（Class) | 苯及其取代衍生物 |
| 亚类（Subclass） | 苯甲醇 |
| 中间层级节点（Intermediate Tree Nodes） | 暂无 |
| 直接上位类(Direct Parent) | 苯甲醇 |
| 其他上位类（Alternative Parents） | 伯醇 碳氢化合物衍生物 芳香醇 |
| 分子骨架（Molecular Framework) | 芳香族同单环化合物 |
| 取代基（Substituents） | 羟基苯甲酸酯 - 芳香醇 - 芳香族同单环化合物 - 苯甲酰基 - 烃衍生物 - 有机氧化合物 - 有机氧化合物 - 初级醇 |
| 描述（Description） | 该化合物属于苯甲醇类有机化合物。这类化合物具有苯基甲醇骨架结构。 |
| 外部描述符（External Descriptors） | an aromatic compound |
三维结构
交互式化学结构模型
产品属性
| ALogP | 1.1 |
|---|
关联靶点（人）
PDE5A
Tclin
Phosphodiesterase 5A
(5113 活性数据)
EGFR
Tclin
Epidermal growth factor receptor erbB1
(33727 活性数据)
F2
Tclin
Thrombin
(11687 活性数据)
CA2
Tclin
Carbonic anhydrase II
(17698 活性数据)
ESR1
Tclin
Estrogen receptor alpha
(17718 活性数据)
HMGCR
Tclin
HMG-CoA reductase
(2475 活性数据)
NR3C1
Tclin
Glucocorticoid receptor
(14987 活性数据)
INSR
Tclin
Insulin receptor
(5558 活性数据)
PGR
Tclin
Progesterone receptor
(8562 活性数据)
ADRB2
Tclin
Beta-2 adrenergic receptor
(11824 活性数据)
CHRM2
Tclin
Muscarinic acetylcholine receptor M2
(10671 活性数据)
ADRB1
Tclin
Beta-1 adrenergic receptor
(6630 活性数据)
HTR1A
Tclin
Serotonin 1a (5-HT1a) receptor
(14969 活性数据)
ADRA2A
Tclin
Alpha-2a adrenergic receptor
(9450 活性数据)
AR
Tclin
Androgen Receptor
(11781 活性数据)
CHRM1
Tclin
Muscarinic acetylcholine receptor M1
(12690 活性数据)
VDR
Tclin
Vitamin D receptor
(26531 活性数据)
ACE
Tclin
Angiotensin-converting enzyme
(1423 活性数据)
DRD2
Tclin
Dopamine D2 receptor
(23596 活性数据)
TSHR
Tclin
Thyroid stimulating hormone receptor
(29986 活性数据)
MAOA
Tclin
Monoamine oxidase A
(11911 活性数据)
CNR1
Tclin
Cannabinoid CB1 receptor
(20913 活性数据)
DRD1
Tclin
Dopamine D1 receptor
(9720 活性数据)
DRD4
Tchem
Dopamine D4 receptor
(7907 活性数据)
ACHE
Tclin
Acetylcholinesterase
(18204 活性数据)
PTGS1
Tclin
Cyclooxygenase-1
(9233 活性数据)
SLC6A2
Tclin
Norepinephrine transporter
(10102 活性数据)
HRH2
Tclin
Histamine H2 receptor
(5428 活性数据)
ADRA1D
Tclin
Alpha-1d adrenergic receptor
(4171 活性数据)
HTR1B
Tclin
Serotonin 1b (5-HT1b) receptor
(2801 活性数据)
HTR2A
Tclin
Serotonin 2a (5-HT2a) receptor
(14758 活性数据)
HTR2C
Tclin
Serotonin 2c (5-HT2c) receptor
(11471 活性数据)
ADORA1
Tclin
Adenosine A1 receptor
(17603 活性数据)
CALCR
Tclin
Calcitonin receptor
(2215 活性数据)
SLC6A4
Tclin
Serotonin transporter
(12625 活性数据)
ADRA1A
Tclin
Alpha-1a adrenergic receptor
(8359 活性数据)
PTGS2
Tclin
Cyclooxygenase-2
(13999 活性数据)
HRH1
Tclin
Histamine H1 receptor
(7573 活性数据)
ADRA1B
Tclin
Alpha-1b adrenergic receptor
(2912 活性数据)
OPRM1
Tclin
Mu opioid receptor
(19785 活性数据)
DRD3
Tclin
Dopamine D3 receptor
(14368 活性数据)
AVPR1A
Tclin
Vasopressin V1a receptor
(5412 活性数据)
OPRD1
Tclin
Delta opioid receptor
(15096 活性数据)
OPRK1
Tclin
Kappa opioid receptor
(16155 活性数据)
SLC6A3
Tclin
Dopamine transporter
(10535 活性数据)
KCNH2
Tclin
HERG
(29587 活性数据)
HTR4
Tclin
Serotonin 4 (5-HT4) receptor
(2068 活性数据)
PDE3A
Tclin
Phosphodiesterase 3A
(3309 活性数据)
ESR2
Tclin
Estrogen receptor beta
(9272 活性数据)
CYSLTR1
Tclin
Cysteinyl leukotriene receptor 1
(2118 活性数据)
关联靶点（其它种属）
Agtr2
Angiotensin II type 2 (AT-2) receptor (803 活性数据)
Mc4r
Melanocortin receptor 4 (1205 活性数据)
Sult1a1
Aryl sulfotransferase (136 活性数据)
Ltc4s
Leukotriene C4 synthase (1 活性数据)
Sigmar1
Sigma opioid receptor (160 活性数据)
Npy1r
Neuropeptide Y receptor type 1 (8 活性数据)
Cckar
Cholecystokinin A receptor (90 活性数据)
Nos2
Nitric oxide synthase, inducible (3573 活性数据)
Mapk1
MAP kinase ERK2 (650 活性数据)
Mmp9
Matrix metalloproteinase 9 (38 活性数据)
Staphylococcus aureus (210822 活性数据)
Plasmodium falciparum (966862 活性数据)
Lithobates pipiens (29 活性数据)
Xenopus laevis (337 活性数据)
Bursaphelenchus xylophilus (372 活性数据)
Colletotrichum gloeosporioides (560 活性数据)
Nfe2l2
Nuclear factor erythroid 2-related factor 2 (214 活性数据)
Colletotrichum camelliae (51 活性数据)
Glra2
Glycine receptor (1745 活性数据)
作用机制
| 作用机制 | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | 参考文献 |
|---|
化学和物理性质
折光率
1.53955
闪点(℉)
213.8 °F
闪点(℃)
101 °C
沸点
205.4°C
熔点
-15.4°C
分子量
108.140 g/mol
XLogP3
1.100
氢键供体数Hydrogen Bond Donor Count
1
氢键受体数Hydrogen Bond Acceptor Count
1
可旋转键计数Rotatable Bond Count
1
精确质量Exact Mass
108.058 Da
单同位素质量Monoisotopic Mass
108.058 Da
拓扑极表面积Topological Polar Surface Area
20.200 Ų
重原子数Heavy Atom Count
8
形式电荷Formal Charge
0
复杂度Complexity
55.400
同位素原子数Isotope Atom Count
0
定义的原子立体中心计数Defined Atom Stereocenter Count
0
未定义的原子立体中心计数Undefined Atom Stereocenter Count
0
定义的键立体中心计数Defined Bond Stereocenter Count
0
未定义的键立体中心计数Undefined Bond Stereocenter Count
0
所有立体化学键的总数The total count of all stereochemical bonds
0
共价键合单元计数Covalently-Bonded Unit Count
1
安全和危险性（GHS）
信号词
警告
危险声明
H227: 可燃液体
预防措施声明
P210: 远离热源，热表面，火花，明火和其他点火源。 - 禁止抽烟。
P280: 戴防护手套/穿防护服/戴防护眼罩/戴防护面具。
P370+P378: 火灾时：使用干砂、干粉或抗醇泡沫灭火。
P403+P235: 存放在通风良好的地方。保持低温。
P501: 将内容物/容器处理到。。。
WGK Germany
1
Merck Index
1124
个人防护装备
Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
质检证书（CoA,COO,BSE/TSE 和分析图谱)
C of A & Other Certificates(BSE/TSE, COO):
输入批号以搜索分析图谱:
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目录： 技术文章
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目录： 技术文章
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目录： 技术文章
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目录： 技术文章
Revisiting Titanium Tetrachloride: New Advances in the Direct Amidation and Esterification of Carboxylic Acids
目录： 技术文章
Understanding ATD-DMAP: From Reagent Design to Esterification, Amidation, and Stereochemical Integrity
目录： 技术文章
From the Logic of Deprotection to Protecting Group Choice: Differences Among Bn, PMB, and Dmb in Experimental Design
目录： 技术文章
The Methodological Value of DSC: Building NHS-Type Activated Intermediates and Deciding When to Use Them
目录： 技术文章
Triphenylphosphine Dibromide (PPh₃Br₂) Is More Than Just a Brominating Reagent: Experimental Selection Logic from Alcohol-to-Alkyl Bromide Conversion to Carboxylic Acid Activation and One-Pot Esterification, Vinyl Bromide Formation, and Nitrile Constructi
目录： 技术文章
How to Construct Nitriles: Route Selection Across Direct Introduction, Precursor Dehydration, Oxidation/Dehydrogenation, and Cyanide-Free Processes
目录： 技术文章
Experimental Assessment of Dibenzyl N,N-Diisopropylphosphoramidite for Alcohol O-Phosphorylation: Coupling, Oxidation, and Debenzylation
目录： 技术文章
DMAP Is More Than Just an Organic Base: Experimental Judgment from Nucleophilic Acyl Transfer to Esterification and Macrolactonization
目录： 技术文章
Experimental Selection of Burgess Reagent: A Decision Framework for Alcohol Dehydration, Primary Amide/Aldoxime Dehydration, and Oxazoline/Thiazoline Cyclization
目录： 技术文章
Experimental Evaluation of Triphosgene in Organic Synthesis: Understanding Its Selection Logic Through Reaction Tasks
目录： 技术文章
Adding a Temperature-Triggered Switch to NCO: How Blocked Isocyanates Affect the Storage, Curing, and Film Performance of 1K Baking Coatings
目录： 技术文章
Mechanism, Diagnosis, and Control of Coating Lifting: Solvent Penetration, Film Swelling, and Interlayer Instability
目录： 技术文章
Solvents, Co-solvents, and Solubilization Systems in Home and Personal Care Formulations: Classification, Functions, and Selection Guide
目录： 技术文章
Why Do Alcohols Differ in Function: Why Is Glycerol Mainly Moisturizing, Propylene Glycol Mainly Solubilizing, and Isopropyl Alcohol Fast-Drying? — Understanding Personal Care Formulation Functions from Structural Differences
目录： 技术文章
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目录： 技术文章
From Structure to Selection: Mechanisms and Application Assessment of Low-Foam Oil and Wax Removal with Fatty Acid Methyl Ester Ethoxylates (FMEE)
目录： 技术文章
Why Are Preservative Systems in Daily Chemical Products Effective? Common Types, Mechanisms of Action, and Factors Affecting Preservation Efficacy
目录： 技术文章
Mechanisms and Troubleshooting of Foam Reduction in Personal and Household Care Formulations: Film Rupture, Weak Interfacial Films, Insufficient Surfactant Supply, and Phase-State Disturbance
目录： 技术文章
Structure, Degradation Behavior, and Applications of Poly(trimethylene carbonate) (PTMC) in Flexible Absorbable Materials
目录： 技术文章
Direct O-Alkylation of Bicyclo[1.1.1]pentan-1-ol: Avoiding Alkoxide-Mediated Skeletal Fragmentation through Electrophile Activation
目录： 技术文章
Overcoming the Electronic-Effect Limitations of Nucleophilic Aromatic Substitution in Fluoroarenes: Anion Activation, Concerted Substitution, and HF Capture by t-Bu-P4
目录： 技术文章
How to Bypass α-Fluoride Elimination: Bromine-Transfer Capture and Oxidative Coupling of α,α-Difluorobenzylic Anions
目录： 技术文章
此产品的引用文献
溶液计算器
产品仅提供给经过验证的企业、机构和合格的专业人员用于研发。不适用于人类、动物、诊断或治疗。
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危险品化学品经营许可证（带存储）