Dihydrocoumarin 二氢香豆素

CAS 119-84-6 MFCD00006881

化学结构图

119-84-6
SMILES: O=C1CCC2CCCCC2O1

化学属性

Mol. FormulaC9H8O2
Mol. Weight148.16
Refractive indexn20/D 1.556(lit.)
Boiling Point272°C at 760 mmHg
Density1.169
Melting Point24-25°C
Flash Point113°C
TSCAYes
Solubility不溶
Appearance 无色至淡黄色液体。有甜味，呈可可似香气。沸点272℃。
pH:A

别名和识别编码

Chemical NameDihydrocoumarin
Synonym Dihydrocoumarin {LY} Dihydrocoumarin {} {LY} Dihydrocoumarin {} {} {LY} Dihydrocoumarin {} {} {} {LY} Dihydrocoumarin {} {} {} {} {LY} Dihydrocoumarin {} {} {} {} {} {LY} Dihydrocoumarin {} {} {} {} {} {} {LY} Dihydrocoumarin {} {} {} {} {} {} {} {LY} Dihydrocoumarin {} {} {} {} {} {} {} {} {LY} Dihydrocoumarin {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Dihydrocoumarin {} {} {} {} {} {} {} {} {} {} {LY} Dihydrocoumarin {} {} {} {} {} {} {} {} {} {} {} {LY} Dihydrocoumarin {} {} {} {} {} {} {} {} {} {} {} {} {LY} Dihydrocoumarin {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Dihydrocoumarin {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Dihydrocoumarin {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Dihydrocoumarin {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Dihydrocoumarin {} {} {} {} {} {} {} {} {
MDL NumberMFCD00006881
CAS Number119-84-6
PubChem Substance ID87567764
EC Number204-354-9
Beilstein Registry Number4584
Chemical Name Translation二氢香豆素
Reaxys-RN4584
Wiswesser Line NotationT66 BOVT&J
LabNetwork Molecule IDLN00192945
Canonical SMILESO=C1CCC2=CC=CC=C2O1
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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, Chemical Synthesis, Coumarins, Heterocyclic Building Blocks, Lavandula angustifolia (Lavendar tea), Nutrition Research, Phytochemicals by Plant (Food/Spice/Herb), 细胞生物学
  • {
  • {SNA} A - D, A-D, Alphabetical Listings, C-D, Certified Food Grade Products, Flavors and Fragrances, Halal Certified Products, Kosher Certified Products
  • {SNA} Building Blocks, Chemical Synthesis, Coumarins, Heterocyclic Building Blocks, Lavandula angustifolia (Lavendar tea), Phytochemicals by Plant (Food/Spice/Herb), 细胞生物学,

相关文献及参考

  • Beilstein:17,315
  • Short: EINECS
  • Short: III/35E

安全信息

GHS Symbol
WGK Germany3
Hazard statements
  • H302 Harmful if swallowed 吞食有害
  • H315 Causes skin irritation 会刺激皮肤
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
Personal Protective Equipment Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
RTECSMW5775000
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。
  • P301+P312+P330
  • P305+P351+P338
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Signal word Warning
Risk Statements
  • R22 Harmful if swallowed 吞咽有害
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
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；
  • S36 Wear suitable protective clothing 穿戴适当的防护服；
Hazard Codes Xn 
TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 433 gm/kg/2Y-I
TOXIC EFFECTS :
   Tumorigenic - neoplastic by RTECS criteria
   Kidney, Ureter, Bladder - Kidney tumors
REFERENCE :
   NTPTR* National Toxicology Program Technical Report Series.  (Research
   Triangle Park, NC 27709) No.206-  Volume(issue)/page/year: NTP-TR-423,1993

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 144 gm/kg/2Y-I
TOXIC EFFECTS :
   Tumorigenic - neoplastic by RTECS criteria
   Liver - tumors
REFERENCE :
   NTPTR* National Toxicology Program Technical Report Series.  (Research
   Triangle Park, NC 27709) No.206-  Volume(issue)/page/year: NTP-TR-423,1993

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 1460 mg/kg
TOXIC EFFECTS :
   Behavioral - somnolence (general depressed activity)
REFERENCE :
   FCTXAV Food and Cosmetics Toxicology.  (London, UK)  V.1-19, 1963-81.  For
   publisher information, see FCTOD7.  Volume(issue)/page/year: 2,327,1964

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Administration onto the skin
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : >5 gm/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   FCTXAV Food and Cosmetics Toxicology.  (London, UK)  V.1-19, 1963-81.  For
   publisher information, see FCTOD7.  Volume(issue)/page/year: 12,521,1974

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 200 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   NTIS** National Technical Information Service.  (Springfield, VA 22161)
   Formerly U.S. Clearinghouse for Scientific & Technical Information.
   Volume(issue)/page/year: AD277-689

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - guinea pig
DOSE/DURATION           : 1760 mg/kg
TOXIC EFFECTS :
   Behavioral - somnolence (general depressed activity)
REFERENCE :
   FCTXAV Food and Cosmetics Toxicology.  (London, UK)  V.1-19, 1963-81.  For
   publisher information, see FCTOD7.  Volume(issue)/page/year: 2,327,1964

Storage condition 2-8°C {LY} 2-8°C Store at room temperature {} {LY} 2-8°C {} {} {LY} 2-8°C {} {} {} {LY} 2-8°C {} {} {} {} {LY} 2-8°C {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°

其他信息

  • 上游原料:肉桂酸 --> 香豆素
  • 使用限量:FEMA(mg/kg)：饮料7.8；冷饮21.0；糖果44.0；焙烤食品28.0；明胶和布丁10.0；胶姆糖78. 0。
  • 海关编码:29322980
  • 参考质量标准:FCC，1997 含量(GT-10-4中非极性柱方法) ≥99.0% 醇中溶解度 Iml溶于1mL 95%乙醇中 折射率(n D 20 ) 1.555～1.559 相对密度(d 25 25 ) 1.186～1.192 凝固点 ≥22℃
  • 氢化肉桂酸内酯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 D1223 3,4-二氢香豆素 3,4-Dihydrocoumarin 500G 954元 2014/06/02 D1223 3,4-二氢香豆素 3,4-Dihydrocoumarin 25G 163元 2010/05/25 B21229 二氢香豆素, 99% Dihydrocoumarin, 99% 2.5kg 4130元
  • 方法一:由香豆素用镍催化氢化。或用邻氯氢化桂酸内酯化转化而成。
  • Acros Organics:二氢香豆素 Dihydrocoumarin, 99%(119-84-6)
  • 食品添加剂最大允许使用量最大允许残留量标准:添加剂中文名称 允许使用该种添加剂的食品中文名称 添加剂功能 最大允许使用量（g/kg） 最大允许残留量（g/kg） 二氢香豆素 食品 食品用香料 用于配制香精的各香料成分不得超过在GB 2760中的最大允许使用量和最大允许残留量
  • FEMA:2381
  • 图谱信息:氢化肉桂酸内酯(119-84-6)质谱(MS) 氢化肉桂酸内酯(119-84-6)核磁图( 13 CNMR) 氢化肉桂酸内酯(119-84-6)核磁图( 1 HNMR) 氢化肉桂酸内酯(119-84-6)红外图谱(IR1)
  • 用途二:GB 2760--1996规定为允许使用的食用香料。
  • 用途一:用于烟用香精、食用香精及其他各类香精中
  • MSDS 信息:Hydrocoumarin(119-84-6).msds
  • TCI Shanghai:二氢香豆素 3,4-Dihydrocoumarin,>;98.0%(GC)(119-84-6)
  • Sigma Aldrich:119-84-6(sigmaaldrich)
  • Alfa Aesar:二氢香豆素,99% Dihydrocoumarin, 99%(119-84-6)
  • 毒性:GRAS(FEMA)。 ADI未规定(FAO/WHO，1994)。 LD50 1460mg/kg(大鼠，经口)。
  • MOL 文件:119-84-6.mol

系列性分类

  1. Application Areas 应用领域分类
  2. Flavors and Fragrances 香精香料
  3. Alphabetical Listings - Flavors and Fragrances
  4. C-D - Alphabetical Listings
  1. Life Science 生命科学
  2. Nutrition Research 营养研究
  3. Phytochemicals by Plant (Food/Spice/Herb) - Nutrition Research
  4. Lavandula angustifolia (Lavendar tea) - Phytochemicals by Plant (Food/Spice/Herb)
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Heterocyclic Building Blocks 杂环合成砌块
  4. Coumarins 香豆素
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Heterocyclic Building Blocks 杂环合成砌块
  4. Coumarins 香豆素
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Heterocyclic Building Blocks 杂环合成砌块
  4. Pyrans 派兰斯

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