Benzoic acid, 3-methyl-, methyl ester 苯甲酸,3-甲基-,甲酯

CAS 99-36-5 MFCD00008436

化学结构图

99-36-5
SMILES: COC(=O)c1cccc(C)c1

化学属性

Mol. FormulaC9H10O2
Mol. Weight150.17
Density1.063
Refractive index1.5150 to 1.5170
Boiling Point113 °C at 27 mmHg
Flash Point96°C(lit.)
TSCAYes

别名和识别编码

Chemical NameBenzoic acid, 3-methyl-, methyl ester
MDL NumberMFCD00008436
CAS Number99-36-5
EC Number202-753-2
Beilstein Registry Number2043574
Synonym Methyl 3-methylbenzoate {LY} Methyl 3-methylbenzoate {} {LY} Methyl 3-methylbenzoate {} {} {LY} Methyl 3-methylbenzoate {} {} {} {LY} Methyl 3-methylbenzoate {} {} {} {} {LY} Methyl 3-methylbenzoate {} {} {} {} {} {LY} Methyl 3-methylbenzoate {} {} {} {} {} {} {LY} Methyl 3-methylbenzoate {} {} {} {} {} {} {} {LY} Methyl 3-methylbenzoate {} {} {} {} {} {} {} {} {LY} Methyl 3-methylbenzoate {} {} {} {} {} {} {} {} {} {LY} Methyl 3-methylbenzoate {} {} {} {} {} {} {} {} {} {} {LY} Methyl 3-methylbenzoate {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl 3-methylbenzoate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl 3-methylbenzoate {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl 3-methylbenzoate {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl 3-methylbenzoate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {
PubChem Substance ID7435
Chemical Name Translation苯甲酸,3-甲基-,甲酯
Reaxys-RN2043574
InChIKeyCPXCDEMFNPKOEF-UHFFFAOYSA-N
LabNetwork Molecule IDLN00224785
InChIInChI=1S/C9H10O2/c1-7-4-3-5-8(6-7)9(10)11-2/h3-6H,1-2H3
Canonical SMILESCC1=CC=CC(C(OC)=O)=C1
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分类

  • {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; ester; 1fragment
  • {SNA} Building Blocks, C8 to C9, Carbonyl Compounds, Chemical Synthesis, Esters, Organic Building Blocks

相关文献及参考

  • Short: II/27B Title: Diamagnetic Susceptibility of Organic Compounds, Oils, Paraffins and Polyethylenes Author: Kumar, M.; Gupta, R. Editor: Gupta, Radha Raman Source: Landolt-Börnstein, New Series Volume: II/27B Year: 2008 Keyword: diamagnetic susceptibility; organic compounds ISBN: 978-3-540-44359-9 (print) ISBN: 978-3-540-45860-9 (online) Internet Resource: doi:10.1007/978-3-540-45860-9 RefComment: VIII, 503 p. With CD-ROM., Hardcover RefComment: Written for: Scientists and researchers in the fields of physics, chemistry, materials science RefComment: Supplement and Revised Editon to II/16 Abstract: The volume II/27 has been divided into three subvolumes according to the classes of compounds: Subvolume A: Diamagnetic susceptibility and magnetic anisotropy of inorganic and organometallic compounds; Subvolume B: Diamagnetic susceptibility of organic compounds, oils, paraffins and polyethylenes; Subvolume C: Diamagnetic susceptibility and magnetic anisotropy of organic compounds. The data presented in this volume are based on the literature survey of the chemical abstracts up to 2005. The calculated values of diamagnetic susceptibility of organic compounds in the present subvolume II/27B are presented along with their experimental values. They have been calculated with the use of structural parameters in structural formula by using different theoretical methods available in the literature.
  • Short: III/35D2 Title: Nuclear Magnetic Resonance (NMR) Data: Chemical Shifts for Carbon-13, Part 2: Aromatic Compounds Author: Mikhova, B. Editor: Gupta, R.R.; Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: III/35D2 Year: 2005 Keyword: aromatic compounds; carbon-13; chemical shift; coupling constant; molecular structure ISBN: 978-3-540-20189-2 ISBN: 3-540-20189-0 Internet Resource: DOI:10.1007/b83345 RefComment: VIII, 291 p., Hardcover RefComment: Written for Science and engineers in the fields of physics, chemistry and physical chemist

安全信息

Signal word Warning
GHS Symbol
WGK Germany3
Safety Statements
  • S26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 眼睛接触后，立即用大量水冲洗并征求医生意见；
  • S37 Wear suitable gloves 戴适当手套；
  • S37/39 Wear suitable gloves and eye/face protection 穿戴适当的手套和眼睛/面保护；
  • S60 This material and its container must be disposed of as hazardous waste 该物质及其容器必须作为危险废物处置；
Risk Statements
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
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。
  • 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。
  • P302+P352
  • P302+P352+P332+P313+P362+P364
  • P305+P351+P338
  • P305+P351+P338+P337+P313
  • P332+P313
  • P362 Take off contaminated clothing and wash before reuse. 脱掉污染的衣服，清洗后方可重新使用
Hazard statements
  • H315 Causes skin irritation 会刺激皮肤
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
  • H302 Harmful if swallowed 吞食有害
  • H319 Causes serious eye irritation 严重刺激眼睛
Personal Protective Equipment Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
Hazard Codes Xn Xn,Xi Xi
Storage condition Store at room temperature {LY} Store at room temperature {} {LY} Store at room temperature {} {} {LY} Store at room temperature {} {} {} {LY} Store at room temperature {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}

其他信息

  • 用途二:有机合成中间体。
  • 用途一:用作医药、农药、染料中间体
  • TCI Shanghai:间甲基苯甲酸甲酯 Methyl m-Toluate,>;98.0%(GC)(99-36-5)
  • 下游产品:3-氨甲基苯甲酸甲酯盐酸盐 --> 3-溴甲基苯甲酸甲酯
  • 3-甲基苯甲酸甲酯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 T1258 间甲基苯甲酸甲酯 Methyl m-Toluate 25ML 221元 2014/06/02 T1258 间甲基苯甲酸甲酯 Methyl m-Toluate 500ML 1960元 2010/06/21 305630250 3-甲基苯甲酸甲酯 Methyl m-toluate 99% 25 GR 385元
  • Alfa Aesar:间甲苯甲酸甲酯,98% Methyl m-toluate, 98%(99-36-5)
  • 图谱信息:3-甲基苯甲酸甲酯(99-36-5)质谱(MS) 3-甲基苯甲酸甲酯(99-36-5)Raman光谱 3-甲基苯甲酸甲酯(99-36-5)红外图谱(IR1) 3-甲基苯甲酸甲酯(99-36-5)核磁图( 13 CNMR) 3-甲基苯甲酸甲酯(99-36-5)核磁图( 1 HNMR)
  • Hazard Note:Irritant
  • Sigma Aldrich:99-36-5(sigmaaldrich)
  • MOL 文件:99-36-5.mol
  • Acros Organics:间甲苯酸甲酯 Methyl m-toluate, 99%(99-36-5)
  • 检测方法:HPLC,NMR

系列性分类

  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Carbonyl Compounds 羰基化合物
  5. Esters - Carbonyl Compounds
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Carbonyl Compounds 羰基化合物
  5. Esters - Carbonyl Compounds
  6. C8 to C9 - Esters

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