4-(4-Hydroxy-3-Methoxyphenyl)But-3-en-2-One 4-(4-羟基-3-甲氧基苯基)丁-3-烯-2-酮

CAS 1080-12-2 MFCD00012210

化学结构图

1080-12-2
SMILES: COc1cc(C=CC(C)=O)ccc1O

化学属性

Mol. FormulaC11H12O3
Mol. Weight192.21
Melting Point125-130 °C
Density1.422
Boiling Point268.19 °C at 760 mmHg

别名和识别编码

Chemical Name4-(4-Hydroxy-3-Methoxyphenyl)But-3-en-2-One
Synonym Dehydrozingerone {LY} Dehydrozingerone {} {LY} Dehydrozingerone {} {} {LY} Dehydrozingerone {} {} {} {LY} Dehydrozingerone {} {} {} {} {LY} Dehydrozingerone {} {} {} {} {} {LY} Dehydrozingerone {} {} {} {} {} {} {LY} Dehydrozingerone {} {} {} {} {} {} {} {LY} Dehydrozingerone {} {} {} {} {} {} {} {} {LY} Dehydrozingerone {} {} {} {} {} {} {} {} {} {LY} Dehydrozingerone {} {} {} {} {} {} {} {} {} {} {LY} Dehydrozingerone {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {LY} Dehydrozingerone {} {} {} {} {} {} {} {} {} {} {} {} {LY} Dehydrozingerone {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Dehydrozingerone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Dehydrozingerone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Dehydrozingerone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Dehydrozingerone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {
MDL NumberMFCD00012210
PubChem Substance ID5354238
CAS Number1080-12-2
EC Number214-096-9
Beilstein Registry Number8(2)326
Reaxys-RN1872776
Chemical Name Translation4-(4-羟基-3-甲氧基苯基)丁-3-烯-2-酮
InChIKeyAFWKBSMFXWNGRE-ONEGZZNKSA-N
InChIInChI=1S/C11H12O3/c1-8(12)3-4-9-5-6-10(13)11(7-9)14-2/h3-7,13H,1-2H3/b4-3+
Canonical SMILESCC(/C=C/C1=CC=C(O)C(OC)=C1)=O
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分类

  • {Chemicalbook} 食品添加剂: 食用香料（增香剂）: 天然等同香料和人造香
  • {SNA} Building Blocks, C11 to C12, Carbonyl Compounds, Chemical Synthesis, Ketones, Organic Building Blocks
  • {SNA} Bioactive Small Molecules,
  • {SNA} Building Blocks, C11 to C12, Carbonyl Compounds, Chemical Synthesis, Ketones, Organic Building Blocks, V, 生物活性小分子,
  • {SNA} Bioactive Small Molecules, Building Blocks, C11 to C12, Carbonyl Compounds, Cell Biology, Chemical Synthesis, Ketones, Organic Building Blocks, V
  • {SNA} Building Blocks, C11 to C12, Carbonyl Compounds,

安全信息

RTECSEM9960000
WGK Germany3
Personal Protective Equipment Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
Signal word Warning
GHS Symbol
Safety Statements
  • S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触；
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。
  • P262 Do not get in eyes, on skin, or on clothing. 不要接触眼睛，皮肤或衣服。
  • 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。
  • P271 Use only outdoors or in a well-ventilated area.? 只能在室外或通风良好的地方使用。
  • 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
  • P301+P312+P330
  • P302+P350
  • P302+P352
  • P302+P352+P312+P362+P364
  • P304+P312
  • P304+P340
  • P304+P340+P312
  • P305+P351+P338
  • P305+P351+P338+P337+P313
  • P312 Call a POISON CENTER or doctor/physician if you feel unwell. 如果你感觉不适，呼叫解毒中心或医生/医师。
  • P321 Specific treatment (see … on this label). 具体治疗（见本标签上的）。
  • P322 Specific measures (see …on this label). 具体治疗（见本标签上的）。
  • P330 Rinse mouth. 漱口
  • P332+P313
  • P337+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
  • P363 Wash contaminated clothing before reuse. 被污染的衣服洗净后方可重新使用。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Hazard statements
  • H302 Harmful if swallowed 吞食有害
  • H302+H312+H332
  • H312 Harmful in contact with skin 皮肤接触有害
  • H315 Causes skin irritation 会刺激皮肤
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H332 Harmful if inhaled 吸入有害
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 610 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   ARZNAD Arzneimittel-Forschung. Drug Research.  (Editio Cantor Verlag,
   Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.)  V.1-    1951-
   Volume(issue)/page/year: 37,708,1987

TYPE OF TEST            : LD - Lethal dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : >1 gm/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   IJSIDW Indian Journal of Pharmaceutical Sciences.  (Kalina, Santa Cruz
   (East), Bombay 400 029, India)  V.40(2)-    1978-  Volume(issue)/page/year:
   43,226,1981

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : >2 gm/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   ARZNAD Arzneimittel-Forschung. Drug Research.  (Editio Cantor Verlag,
   Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.)  V.1-    1951-
   Volume(issue)/page/year: 37,708,1987

Storage condition RT, stored under nitrogen {LY} RT, stored under nitrogen {} {LY} RT, stored under nitrogen {} {} {LY} RT, stored under nitrogen {} {} {} {LY} RT, stored under nitrogen {} {} {} {} {LY} RT, stored under nitrogen {} {} {} {} {} {LY} RT, stored under nitrogen {} {} {} {} {} {} {LY} RT, stored under nitrogen {} {} {} {} {} {} {} {LY} RT, stored under nitrogen {} {} {} {} {} {} {} {} {LY} RT, stored under nitrogen {} {} {} {} {} {} {} {} {} {LY} RT, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {LY} RT, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {LY} RT, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {LY} RT, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} RT, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} RT, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} RT, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}

其他信息

  • 使用限量:FEMA：焙烤制品、冷饮、软糖、凝胶、布丁、无醇饮料，均8.0mg/kg。
  • 香草醛縮丙酮价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 H0996 4-(4-羟基-3-甲氧苯基)-3-丁烯-2-酮 4-(4-Hydroxy-3-methoxyphenyl)-3-buten-2-one 5G 624元 2014/06/02 H0996 4-(4-羟基-3-甲氧苯基)-3-丁烯-2-酮 4-(4-Hydroxy-3-methoxyphenyl)-3-buten-2-one 25G 1810元
  • Sigma Aldrich:1080-12-2(sigmaaldrich)
  • color:yellow
  • 图谱信息:香草醛縮丙酮(1080-12-2)质谱(MS)
  • F:10-23
  • MOL 文件:1080-12-2.mol
  • 参考质量标准:FAO/WHO，2001 含量(GT-10-4) ≥97% 熔点 129～130℃
  • FEMA:3738
  • TCI Shanghai:香草醛丙酮 4-(4-Hydroxy-3-methoxyphenyl)-3-buten-2-one,>;98.0%(GC)(1080-12-2)
  • 毒性:GRAS(FEMA)。

系列性分类

  1. Life Science 生命科学
  2. Nutrition Research 营养研究
  3. Phytochemicals by Chemical Classification - Nutrition Research
  4. Plant Extracts - Phytochemicals by Chemical Classification
  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. Ketones - Carbonyl Compounds
  6. C11 to C12 - Ketones

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