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


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