CAS 5471-51-2 MFCD00002394-4-(4-Hydroxyphenyl)butan-2-one 4-(对羟基苯基)-2-丁酮 TAO{mole}

4-(4-Hydroxyphenyl)butan-2-one 4-(对羟基苯基)-2-丁酮

CAS 5471-51-2 MFCD00002394

化学结构图

SMILES: CC(=O)CCc1ccc(O)cc1

化学属性

Mol. Formula	C10H12O2
Mol. Weight	164.20
Melting Point	81-85°C
Density	1.422
TSCA	Yes
Boiling Point	292.2°C at 760 mmHg
Appearance	天然品存在于覆盆子(树莓)等中。白色针状结晶或粒状固体。呈覆盆子香气和水果香甜味。熔点82～83℃。不溶于水和石油英，溶于乙醇、乙醚和挥发性油。

别名和识别编码

Chemical Name	4-(4-Hydroxyphenyl)butan-2-one
CAS Number	5471-51-2
Synonym	Raspberry ketone {LY} Raspberry ketone {} {LY} Raspberry ketone {} {} {LY} Raspberry ketone {} {} {} {LY} Raspberry ketone {} {} {} {} {LY} Raspberry ketone {} {} {} {} {} {LY} Raspberry ketone {} {} {} {} {} {} {LY} Raspberry ketone {} {} {} {} {} {} {} {LY} Raspberry ketone {} {} {} {} {} {} {} {} {LY} Raspberry ketone {} {} {} {} {} {} {} {} {} {LY} Raspberry ketone {} {} {} {} {} {} {} {} {} {} {LY} Raspberry ketone {} {} {} {} {} {} {} {} {} {} {} {LY} Raspberry ketone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Raspberry ketone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Raspberry ketone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Raspberry ketone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Raspberry ketone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
Beilstein Registry Number	776080
PubChem Substance ID	87570984
EC Number	226-806-4
MDL Number	MFCD00002394
Reaxys-RN	776080
Chemical Name Translation	4-(对羟基苯基)-2-丁酮
Wiswesser Line Notation	QR D2V1
InChI	InChI=1S/C10H12O2/c1-8(11)2-3-9-4-6-10(12)7-5-9/h4-7,12H,2-3H2,1H3
LabNetwork Molecule ID	LN00009561
Canonical SMILES	CC(CCC1=CC=C(O)C=C1)=O

信息真实价格透明资金保障专业采购外包团队在线服务

品牌质保精细包装现货库存一流品牌服务

产品应用

The primary aroma compound of red raspberries, used in perfume compositions, shampoos, cosmetics and as a food additive.

安全信息

WGK Germany2

GHS Symbol

Signal word

Hazard statements

H302 Harmful if swallowed 吞食有害

Hazard Codes Xn Xn,Xi

RTECSEL8925000

Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves

Safety Statements

Risk Statements

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。
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+P310
P301+P312+P330
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
P501 Dispose of contents/container to..… 处理内容物/容器.....

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 350 mg/kg
TOXIC EFFECTS :
   Behavioral - altered sleep time (including change in righting reflex)
   Behavioral - analgesia
REFERENCE :
   FCTXAV Food and Cosmetics Toxicology.  (London, UK)  V.1-19, 1963-81.  For
   publisher information, see FCTOD7.  Volume(issue)/page/year: 8,349,1970

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 1320 mg/kg
TOXIC EFFECTS :
   Behavioral - altered sleep time (including change in righting reflex)
   Behavioral - analgesia
REFERENCE :
   FCTXAV Food and Cosmetics Toxicology.  (London, UK)  V.1-19, 1963-81.  For
   publisher information, see FCTOD7.  Volume(issue)/page/year: 8,349,1970

Storage condition 2-8°C, stored under nitrogen {LY} 2-8°C, stored under nitrogen {} {LY} 2-8°C, stored under nitrogen {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {} {} {

其他信息

TCI Shanghai:4-(4-羟苯基) -2-丁酮 4-(4-Hydroxyphenyl)-2-butanone,>;99.0%(GC)(5471-51-2)
参考质量标准:QB 1632—1992 色状白色晶体香气具有强烈覆盆子香气熔点/℃ 81.5～83.5 重金属(以Ph计) ≤0.001 砷(以As计) ≤0.0003
FEMA:2588
MSDS 信息:Frambinone(5471-51-2).msds
用途一:用于调制食品香料，具有增香增甜作用，也可用于化妆品及皂用香精中
方法二:加氢路线先将3.5mol 15%的氢氧化钠加入反应器，在搅拌下滴加2mol丙酮和1mol对羟基苯甲醛的混合物，温度控制在20～30℃，滴加完后继续搅拌反应20h。过滤得4-对羟基苯基丁烯-3-酮-2的固体钠盐，加水溶解，然后用盐酸酸化，析出4-对羟基苯基丁烯-3-酮-2，过滤后干燥待用。在高压釜中加入上述中间体100g和镍催化剂5g，通氢气置换出其中的空气后加热至120～140℃，在0.98MPa压力下反应1.5h。冷却后，滤去催化剂，覆盆子酮含量为89%，加氢得率为92%。将上述粗品减压蒸馏一次，重结晶1～2次可得白色结晶，熔点82℃。苯酚路线在反应器中加入94g苯酚和适量85%的磷酸混合催化剂，70g甲基乙烯基酮在40min内滴加完毕，温度保持在15～20℃，加完后再搅拌反应4h。反应结束后，反应物用水洗至中性，减压蒸馏回收苯酚63g，得产品25g，熔点81.5～82.5℃，得率为80%。
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）覆盆子酮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
用途四:广泛用于草莓、悬钩子、菠萝、桃子等食用香精，通常在果香型的香精中作为定香剂。在日化香精中可用于茉莉、桅子花、晚香玉等配方中。
上游原料:乙醇 --> 丙酮 --> 对羟基苯甲醛 --> 丁烯酮 --> 4-苯基-1-丁烯 --> 3,3',4,4'-四甲酸二苯甲酮
用途二:GB 2760—96规定为允许使用的食用香料。主要用以配制树莓、葡萄、草莓等型香精。
Hazard Note:Irritant
方法一:由对羟基苯甲醛和丙酮缩合后氢化而成。由丁酮酸与苯酚缩合而成。
Alfa Aesar:4-羟基苄基丙酮,98% 4-(4-Hydroxyphenyl)-2-butanone, 98%(5471-51-2)
Sigma Aldrich:5471-51-2(sigmaaldrich)
用途三:覆盆子酮是我国《食品添加剂使用卫生标准》规定允许使用的食品香料，多用于配制菠萝、桃、草莓、李等水果食用香精。在口香糖中使用量为40～320mg/kg；烘烤食品中54mg/kg；糖果中44mg/kg；冷饮中34mg/kg；软饮料中16mg/kg；布丁类中5.0～50mg/kg。
Acros Organics:4-(4-羟基苯基)-2-丁酮 4-(4-Hydroxyphenyl)-2-butanone, 99+%(5471-51-2)
检测方法:HPLC,NMR
MOL 文件:5471-51-2.mol
覆盆子酮价格(试剂级):更新日期产品编号产品名称包装价格 2014/06/02 H0604 4-(4-羟苯基) -2-丁酮 4-(4-Hydroxyphenyl)-2-butanone 25G 416元 2010/06/21 176472500 覆盆子酮 4-(4-Hydroxyphenyl)-2-butanone 99+% 250 GR 3376元 2010/06/21 SB01721DE 覆盆子酮 4-(4-hydroxyphenyl)butan-2-one 5 GR 285元