MDL | MFCD00004465 |
InChIKey | RIWRBSMFKVOJMN-UHFFFAOYSA-N |
Inchi | 1S/C10H14O/c1-10(2,11)8-9-6-4-3-5-7-9/h3-7,11H,8H2,1-2H3 |
SMILES | O([H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])C1C([H])=C([H])C([H])=C([H])C=1[H] |
BRN | 1855608 |
LogP | 2.00000 |
PSA | 20.23000 |
折射率 | n20/D 1.514(lit.) |
水溶性 | Slightly soluble in water. |
沸点 | 94-96 °C/10 mmHg(lit.) |
熔点 | 23-25 °C (lit.) |
闪点 | 华氏:177.8 °F 摄氏:81 °C |
FEMA | 2393 |
颜色与性状 | 低熔点白色结晶,过冷状态下可为无色至淡黄色液体。具有花香气和甜香草味。 |
溶解性 | 溶于大多数非挥发性油、矿物油和丙二醇,不溶于甘油和水。 |
密度 | 0.974 g/mL at 25 °C(lit.) |
精确分子量 | 150.10400 |
氢键供体数量 | 1 |
氢键受体数量 | 1 |
可旋转化学键数量 | 2 |
同位素质量 | 150.104465 |
重原子数量 | 11 |
复杂度 | 112 |
同位素原子数量 | 0 |
确定原子立构中心数量 | 0 |
不确定原子立构中心数量 | 0 |
确定化学键立构中心数量 | 0 |
不确定化学键立构中心数量 | 0 |
共价键单元数量 | 1 |
疏水参数计算参考值(XlogP) | 2.2 |
互变异构体数量 | 无 |
表面电荷 | 0 |
拓扑分子极性表面积 | 20.2 |
符号: |
GHS07
![]() |
RTECS号 | SG8050000 |
WGK Germany | 2 |
安全术语 | S24/25 |
安全说明 | S23-S24/25 |
风险术语 | R22 |
危险品标志 |
Xn
![]() |
危险品运输编号 | NONH for all modes of transport |
危害声明 | H302 |
警示性声明 | P264-P270-P301+P312+P330-P501 |
提示语 | 警告 |
储存条件 | 远离高温、火花和火焰,远离火源。 不使用时保持容器关闭。 储存于紧闭密封的容器中。 储存于阴凉、干燥、通风良好的区域,远离不相容的物质。 |
危险类别码 | 22 |
信号词 | Warning |
TSCA | Yes |
EINECS | 27228 |
海关编码 | 29062900 |
海关数据 |
中国海关编码:2906299090概述:2906299090 其他芳香醇. 增值税率:17.0% 退税率:9.0% 监管条件:无 最惠国关税:5.5% 普通关税:30.0% 申报要素:品名, 成分含量, 用途 Summary:2906299090 other aromatic alcohols。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:5.5%。General tariff:30.0% |
方法 | 由丙酮和苄基氯化镁或苄基溴化镁进行加成反应,再经水解后减压蒸馏而得。 由溴化苄镁与丙酮通过格氏反应制取。 |
用途 | 用于调配多种化妆、皂用和食用香精 GB 2760一96规定为允许使用的食用香料。主要用于配制香草和水果型香精。 有清新的梧清香气,可很好地用于紫丁香中。也可用于铃兰、橙花、玫瑰、水仙、茉莉等花香型以及清香型和重型百花型等配方中,可增花香。还可少量用于食用香精配方,如咖啡、生梨、青胡椒、圆醋栗等。 该品用于配制花香型香精,如百合、水仙、素馨、铃兰等高级花香型香精。它的乙酸酯有清新的香韵,因而使其价值倍增,常用在风信子、百合、茉莉等花香型香精中。 该品用于配制花香型香精,如百合;水仙;素馨;铃兰等高级花香型香精。它的乙酸酯有清新的香韵,因而使其价值倍增,常用在风信子;百合;茉莉等花香型香精中。 |
1.
Model dialkyl peroxides of the Fenton mechanistic probe 2-methyl-1-phenyl-2-propyl hydroperoxide (MPPH): kinetic probes for dissociative electron transfer
David C. Magri,Mark S. Workentin Org. Biomol. Chem. 2003 1 3418
2.
Catalysis and molecular magnetism of dinuclear iron(iii) complexes with N-(2-pyridylmethyl)-iminodiethanol/-ate
Jong Won Shin,Jeong Mi Bae,Cheal Kim,Kil Sik Min Dalton Trans. 2014 43 3999
3.
The oxidation of ethylbenzene and other alkylaromatics by dioxygen catalysed by iron(III) tetrakis(pentafluorophenyl)porphyrin and related iron porphyrins
Steven Evans,John R. Lindsay Smith J. Chem. Soc. Perkin Trans. 2 2000 1541
4.
Asymmetric alkylations using SuperQuat auxiliaries—an investigation into the synthesis and stability of enolates derived from 5,5-disubstituted oxazolidin-2-ones
Steven D. Bull,Stephen G. Davies,Simon Jones,Hitesh J. Sanganee J. Chem. Soc. Perkin Trans. 1 1999 387
5.
Exploration of highly electron-rich manganese complexes in enantioselective oxidation catalysis; a focus on enantioselective benzylic oxidation
Eduard Masferrer-Rius,Fanshi Li,Martin Lutz,Robertus J. M. Klein Gebbink Catal. Sci. Technol. 2021 11 7751
6.
Metal-catalyzed amide bond forming reactions in an environmentally friendly aqueous medium: nitrile hydrations and beyond
Rocío García-álvarez,Pascale Crochet,Victorio Cadierno Green Chem. 2013 15 46
7.
Synthesis of fluorinated leucines, valines and alanines for use in protein NMR
Ansis Maleckis,Elwy H. Abdelkader,Iresha D. Herath,Gottfried Otting Org. Biomol. Chem. 2022 20 2424
8.
Phosphazene/triisobutylaluminum-promoted anionic ring-opening polymerization of 1,2-epoxybutane initiated by secondary carbamates
L. Hassouna,N. Illy,P. Guégan Polym. Chem. 2017 8 4005
9.
New porphyrin–polyoxometalate hybrid materials: synthesis, characterization and investigation of catalytic activity in acetylation reactions
Mehdi Araghi,Valiollah Mirkhani,Majid Moghadam,Shahram Tangestaninejad,Iraj Mohammdpoor-Baltork Dalton Trans. 2012 41 11745
10.
Dehydrogenation of glycerol to dihydroxyacetone catalyzed by iridium complexes with P–N ligands
Corrado Crotti,Jan Ka?par,Erica Farnetti Green Chem. 2010 12 1295
Reaxys RN | 1855608 |
Beilstein | 1855608 |