CAS 103-54-8 MFCD00008722-2-Propen-1-ol, 3-phenyl-, 1-acetate 乙酸桂酯 TAO{mole}

2-Propen-1-ol, 3-phenyl-, 1-acetate 乙酸桂酯

CAS 103-54-8 MFCD00008722

化学结构图

SMILES: CC(=O)OCC=Cc1ccccc1

化学属性

Mol. Formula	C11H12O2
Mol. Weight	176.21
Refractive index	1.5390 to 1.5430
Boiling Point	265°C at 760 mmHg
Density	1.057
Flash Point	113°C
Appearance	无色至淡黄色透明液体，呈甜的香脂和玫瑰及岩兰草混合香气。闪点118℃，沸点264℃。混溶于乙醇、氯仿、乙醚和大多数非挥发性油，几不溶于甘油和水。天然品存在于桂皮油中。
Melting Point	30 °C

别名和识别编码

Chemical Name	2-Propen-1-ol, 3-phenyl-, 1-acetate
MDL Number	MFCD00008722
CAS Number	103-54-8
Synonym	Cinnamyl acetate {LY} Cinnamyl acetate {} {LY} Cinnamyl acetate {} {} {LY} Cinnamyl acetate {} {} {} {LY} Cinnamyl acetate {} {} {} {} {LY} Cinnamyl acetate {} {} {} {} {} {LY} Cinnamyl acetate {} {} {} {} {} {} {LY} Cinnamyl acetate {} {} {} {} {} {} {} {LY} Cinnamyl acetate {} {} {} {} {} {} {} {} {LY} Cinnamyl acetate {} {} {} {} {} {} {} {} {} {LY} Cinnamyl acetate {} {} {} {} {} {} {} {} {} {} {LY} Cinnamyl acetate {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {LY} Cinnamyl acetate {} {} {} {} {} {} {} {} {} {} {} {} {LY} Cinnamyl acetate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Cinnamyl acetate {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Cinnamyl acetate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Cinnamyl acetate {} {} {} {} {} {} {} {} {} {} {}
PubChem Substance ID	5282110
EC Number	203-121-9
Reaxys-RN	2046000
Beilstein Registry Number	2046000
Chemical Name Translation	乙酸桂酯
InChIKey	WJSDHUCWMSHDCR-VMPITWQZSA-N
Wiswesser Line Notation	1VO2U1R
InChI	InChI=1S/C11H12O2/c1-10(12)13-9-5-8-11-6-3-2-4-7-11/h2-8H,9H2,1H3/b8-5+
Canonical SMILES	CC(OC/C=C/C1=CC=CC=C1)=O

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品牌质保精细包装现货库存一流品牌服务

安全信息

GHS Symbol

WGK Germany1

Hazard statements

H319 Causes serious eye irritation 严重刺激眼睛
H303 May be harmfully swallowed 吞食可能有害

Personal Protective Equipment Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

RTECSGE2275000

Precautionary statements

P305+P351+P338
P332+P313

Signal word Warning

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；
S37/39 Wear suitable gloves and eye/face protection 穿戴适当的手套和眼睛/面保护；

Hazard Codes Xi

Risk Statements

R36 Irritating to eyes 刺激眼睛

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 4750 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   VPITAR Voprosy Pitaniya.  Problems of Nutrition.  (V/O Mezhdunarodnaya
   Kniga, 113095 Moscow, USSR) V.1-10, 1932-41; V.11-    1952-
   Volume(issue)/page/year: 33(5),48,1974

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 1200 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   PHMCAA Pharmacologist.  (American Soc. for Pharmacology and Experimental
   Therapeutics, 9650 Rockville Pike, Bethesda, MD 20014)  V.1-    1959-
   Volume(issue)/page/year: 3,62,1961

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 3300 mg/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: 11,1063,1973

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - guinea pig
DOSE/DURATION           : 4750 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   VPITAR Voprosy Pitaniya.  Problems of Nutrition.  (V/O Mezhdunarodnaya
   Kniga, 113095 Moscow, USSR) V.1-10, 1932-41; V.11-    1952-
   Volume(issue)/page/year: 33(5),48,1974

Storage condition 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°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {

其他信息

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）乙酸肉桂酯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
MSDS 信息:Cinnamyl acetate(103-54-8).msds
乙酸桂酯价格(试剂级):更新日期产品编号产品名称包装价格 2011/04/16 A0901 乙酸肉桂酯 Cinnamyl Acetate 500ML 1280元 2011/04/16 A0901 乙酸肉桂酯 Cinnamyl Acetate 25ML 182元
参考质量标准:FCC，1996 含量 ≥98.0% 折射率(n D 25 ) 1.539～1.543 相对密度(d 25 ) 1.050～1.054 酸值(OT-4) ≤1.0
毒性:ADI 1.25mg/kg(CE)。 LD 50 3.3g/kg(大鼠，经口)。
FEMA:2293
用途二:可作为桂醇的修饰剂，有好的定香能力，适量用于香石竹、风信子、紫丁香、铃兰、茉莉、栀子、兔耳草花、黄水仙等花香香精中。用入玫瑰，有增加暖甜的作用，但用量宜少；与香叶共用，可得美好玫瑰格调。也常用于食用香精如樱桃、葡萄、桃子、杏子、苹果、浆果、风梨、桂皮、肉桂等香味型中。
使用限量:FEMA(mg/kg)：软饮料2.7；冷饮6.5；糖果16；焙烤食品11；胶姆糖8.7；调味品2.0。适度为限(FDA§172．515，2000)。
TCI Shanghai:乙酸肉桂酯 Cinnamyl Acetate,>;97.0%(GC)(103-54-8)
Sigma Aldrich:103-54-8(sigmaaldrich)
上游原料:乙酐 --> 无水醋酸钠 --> 肉桂醇 --> 桂醇
用途一:用于香石竹、风信子、紫丁香、水仙等花香型日用香精中，亦用于苹果、菠萝、肉桂等食用香精
易溶于乙醇、乙醚，几乎不溶于水和甘油。有温和甜味的花香。
方法二:由肉桂醇与乙酸直接酯化而得。酯化反应后，经中和、洗涤、干燥、真空蒸馏即得成品。
MOL 文件:103-54-8.mol
用途四:配制香皂、日用化妆香精。在调配铃兰、素馨和栀子花香精以及东方风味的香水中用作定香剂及香成分。作为食用香料，按日本《食品添加物公定书》的规定，要求纯度在98%以上，且不得用于加香以外的目的。
用途三:GB 2760—96规定为允许使用的食用香料。主要用于配制桂皮、苹果、樱桃和菠萝等型香精。
图谱信息:乙酸桂酯(103-54-8)红外图谱(IR1)
含量分析:按酯测定法(OT-18)中的方法一进行测定。所取试样量为1.2g。计算中的当量因子(e)取88.11。
方法一:由桂醇与乙酸酐在无水醋酸钠存在下酯化而得。
乙酸桂酯价格(试剂级):更新日期产品编号产品名称包装价格 2014/06/02 A0901 乙酸肉桂酯 Cinnamyl Acetate 500ML 1450元 2014/06/02 A0901 乙酸肉桂酯 Cinnamyl Acetate 25ML 208元