Octyl 3,4,5-Trihydroxybenzoate 3,4,5-三羟基苯甲酸辛酯

CAS 1034-01-1 MFCD00002197

化学结构图

1034-01-1
SMILES: CCCCCCCCOC(=O)c1cc(O)c(O)c(O)c1

化学属性

Mol. FormulaC15H22O5
Mol. Weight282
Melting Point95.0 to 104.0 deg-C
TSCAYes
Appearance 白色至奶白色结晶。无臭。味微苦。熔程99~102℃。不溶于水。易溶于乙醇、乙醚和丙二醇。

别名和识别编码

Chemical NameOctyl 3,4,5-Trihydroxybenzoate
MDL NumberMFCD00002197
CAS Number1034-01-1
Beilstein Registry Number10(4)2005
EC Number213-853-0
Synonym OCTYL GALLATE(OCTYL 3,4,5-TRIHYDROXYBENZOATE) 阿仑磷酸钠 Octyl 3,4,5-trihydroxybenzoate OCTYL GALLATE 正辛基没食子酸 3,4,5-Trihydroxybenzoic acid octyl ester n-octylesterof3,4,5-trihydroxybenzoicacid OCTYL 3,4,5-TRIHYDROXYBENZOATE 棓酸辛酯 GALLIC ACID OCTYL ESTER OCTYLGALLATE(RG) n-Octyl gallate, 98+% Benzoic acid, 3,4,5-trihydroxy-, octyl ester Oktylester kyseliny gallove Gallic acid n-octyl estern-Octyl 3,4,5-trihydroxybenzoate
PubChem Substance ID87570391
Reaxys-RN2132305
Chemical Name Translation3,4,5-三羟基苯甲酸辛酯
Wiswesser Line NotationQR BQ CQ EVO8
LabNetwork Molecule IDLN00202343
InChIInChI=1S/C15H22O5/c1-2-3-4-5-6-7-8-20-15(19)11-9-12(16)14(18)13(17)10-11/h9-10,16-18H,2-8H2,1H3
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分类

  • {SNA} Analytical Standards,
  • {SNA} Analytical Standards, Analytical/Chromatography, Chromatography, EP Standards, EP Standards N - O, Pharmaceutical Standards, Pharmacopeia Standards
  • {SNA} Alphabetical Index of Analytical Standards, Analytical Standards, Analytical/Chromatography, Building Blocks, C12 to C63, Carbonyl Compounds, Chemical Synthesis, Esters, O, Organic Building Blocks
  • {SNA} Analyt
  • {SA} Building Blocks, C12 to C63, Carbonyl Compounds, Chemical Synthesis,
  • {SNA} Alphabetical Index of Analytical Standards, Analytical Standards, Analytical/Chromatography, Antioxidants, Chromatography,
  • {SNA}

相关文献及参考

  • [2]. Wang Q, et al. Octyl gallate: An antioxidant demonstrating selective and sensitive fluorescent property. Food Chem. 2017 Mar 15;219:268-273.
  • [3]. Uozaki M, et al. Antiviral effect of octyl gallate against DNA and RNA viruses. Antiviral Res. 2007 Feb;73(2):85-91.
  • [1]. Wolf VG, et al. Octyl gallate, a food additive with potential beneficial properties to treat Helicobacter pylori infection. Food Funct. 2017 Jul 19;8(7):2500-2511.
  • [1]. Wolf VG, et al. Octyl gallate, a food additive with potential beneficial properties to treat Helicobacter pylori infection. Food Funct. 2017 Jul 19;8(7):2500-2511.
  • [2]. Wang Q, et al. Octyl gallate: An antioxidant demonstrating selective and sensitive fluorescent property. Food Chem. 2017 Mar 15;219:268-273.
  • [3]. Uozaki M, et al. Antiviral effect of octyl gallate against DNA and RNA viruses. Antiviral Res. 2007 Feb;73(2):85-91.

安全信息

GHS Symbol
WGK Germany1
Precautionary statements
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P270 Do not eat, drink or smoke when using this product. 使用本产品时不要吃东西,喝水或吸烟。
  • P272 Contaminated work clothing should not be allowed out of the workplace. 污染的工作服不得带出工作场所。
  • P280 Wear protective gloves/protective clothing/eye protection/face protection. 戴防护手套/防护服/眼睛的保护物/面部保护物。
  • P301+P312+P330
  • P302+P352+P333+P313+P362+P364
  • P333+P313
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Hazard statements
  • H302 Harmful if swallowed 吞食有害
  • H317 May cause an allergic skin reaction 可能导致皮肤过敏
RTECSLW8225000
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Faceshields, Gloves
Signal word
Safety Statements
  • S24 Avoid contact with skin 避免皮肤接触;
  • S37 Wear suitable gloves 戴适当手套;
  • S2 Keep out of the reach of children 避免儿童触及;
Risk Statements
  • R22 Harmful if swallowed 吞咽有害
  • R43 May cause sensitisation by skin contact 皮肤接触会产生过敏反应
Hazard Codes Xn
Storage condition 0-6°C
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 1960 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   FAONAU FAO Nutrition Meetings Report Series.  (Rome, Italy)  No.?-57,
   1948-77.  Discontinued.  Volume(issue)/page/year: 53A,183,1974

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 60 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   FAONAU FAO Nutrition Meetings Report Series.  (Rome, Italy)  No.?-57,
   1948-77.  Discontinued.  Volume(issue)/page/year: 38A,22,1965

其他信息

  • 图谱信息:没食子酸辛酯(1034-01-1)Raman光谱 没食子酸辛酯(1034-01-1)红外图谱(IR1) 没食子酸辛酯(1034-01-1)红外图谱(IR2) 没食子酸辛酯(1034-01-1)核磁图( 1 HNMR) 没食子酸辛酯(1034-01-1)核磁图( 13 CNMR) 没食子酸辛酯(1034-01-1)质谱(MS)
  • Alfa Aesar:没食子酸正辛酯,98+% n-Octyl gallate, 98+%(1034-01-1)
  • 毒性:ADI 0~0.1mg/kg(FAO/WHO,2001)。 LD 50 4.7g/kg(大鼠,经口)。 接EEC-HACSG规定,不得用于婴幼儿食品(1990).
  • 参考质量标准:FAO/WHO,1996 含量(干基计) ≥98.5% 氯化有机物(以cl计;GT-9) ≤100mg/kg 游离酸(以没食子酸计) ≤0.5% 干燥失重(90℃,6h,需通风) ≤0.5% 硫酸盐灰分(GT-5-1;试样2g) ≤0.05% 重金属(以Pb计,GT-16-2;试样2g) ≤10mg/kg
  • 用途一:抗氧化剂。
  • 含量分析:方法一分光光度法,此法与“没食子酸十二酯(08007)”中方法相同。其E 1cm 1% (276nm)-380~390。 方法二 硝酸铋沉淀法,此法同“没食子酸十二酯(08007)”,但计算中的系数由60.17改为55.74。
  • 使用限量:FAO/WHO(1984):一般食用油脂、人造奶油、乳脂肪100mg/kg。
  • TCI Shanghai:没子酸正辛酯 n-Octyl Gallate,>;98.0%(T)(1034-01-1)
  • Sigma Aldrich:1034-01-1(sigmaaldrich)
  • MSDS 信息:Octyl gallate(1034-01-1).msds
  • 方法一:由辛醇与没食子酸酯化而得。
  • MOL 文件:1034-01-1.mol
  • 没食子酸辛酯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 G0206 没食子酸正辛酯 n-Octyl Gallate 25G 557元 2014/06/02 G0206 没食子酸正辛酯 n-Octyl Gallate 250G 2280元 2010/05/25 L06081 没食子酸正辛酯, 98+% n-Octyl gallate, 98+% 25g 315元
  • 鉴别试验:溶解性不溶于水;易溶于乙醇、乙醚和丙二醇。按OT-42方法测定。 熔程99~102℃。试样预经90℃干燥6h。 显色试验、没食子酸试验。没食子酸酯的薄层色谱分析,均与“08007,没食子酸十二酯”同,惟没食子酸试验中,对照样液A中为没食子酸辛酯10mg,对照液B中为10mg没食子酸丙酯和10mg没食子酸辛酯溶于10ml甲醇。

系列性分类


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