CAS 87-44-5 MFCD00075925-β-Caryophyllene β-石竹烯 TAO{mole}

β-Caryophyllene β-石竹烯

CAS 87-44-5 MFCD00075925

化学结构图

SMILES: C=C1CCC=C(C)CCC2C1CC2(C)C

化学属性

Mol. Formula	C15H24
Mol. Weight	204
Density	0.902
Boiling Point	262-264
Refractive index	1.4970 to 1.5000
Flash Point	97°C(lit.)
Appearance	无色至微黄色油状液体，具有淡的丁香似香味。沸点256℃。溶于乙醚和乙醇，不溶于水。天然品存在于丁香油、丁香茎油、锡兰桂皮油、肉桂叶油、薰衣草油、百里香油、胡椒油、甘椒油等精油中。

别名和识别编码

Chemical Name	β-Caryophyllene
Synonym	{uni_hamburg} {Chemicalbook} BETA-CARYOPHYLLENE Bicyclo[7.2.0]undec-4-ene, 4,11,11-trimethyl-8-methylene-, [1R-(1R,4E, CARYOPHYLLENE (-)-TRANS-CARYOPHYLLENE (-)-β-caryophyllene 4,11,11-Trimethyl-8-methylenbicyclo[7.2.0]undec-4(trans)-en (-)-反式石竹烯 l-caryophyllene caryophillene TRANS-(1R,9S)-8-METHYLENE-4,11,11-TRIMETHYLBICYCLO[7.2.0]UNDEC-4-ENE β-石竹烯 (-)-反式石竹烯反式-(1R,9S)-8-亚甲基-4,11,11-三甲基双环[7.2.0]十一碳-4-烯 {Chemi B-CARYOPHYLLENE BETA-CARYOPH 8-Methylene-4,11,11-(trimethyl)bicyclo[7.2.0]undec-4-ene { [1R-(1R,4E,9S)]-8-methylene-4,11,11-trimethylbicyclo[7.2.0]-4-undecane 4,11,11-trimethyl-8-methylene-,(1r-(1r,4e,9s))-bicyclo(7.2.0)undec-4-en β-石竹烯 β-Caryophyllene, (-) (-) TRANS CARYOPHYLLEN (1R,9S)-8-METHYLEN-4,11,11 反式石竹烯 (-)-E-caryophyllene Bicyclo[7.2.0]undec-4-ene, 4,11,11-trimethyl-8-methylene-, (1R,4E,9S)- (8E)-8,12-seco-caryola-1(12),8-diene 8-METHYLENE-4,11,11-TRIMETHYLBICYCLO[7.2.0]UNDEC-4-ENE 天然Β石竹烯 4,11,11-trimethyl-8-methylene-bicyclo[7.2.0]undec-4-ene bicyclo[7.2.0]undec-4-ene, 4,11,11-trimethyl-8-methylene-, (E)-(1R,9S)-(-)- [1R-(1R,4E,9S)]-4,11,11-三甲基-8-亚甲基二环[7.2.0]十一-4-烯 [1R-(1R,4E,9S)]-4,11,11-trimethyl-8-methylene-bic [1R-(1R,4E,9S)]-4,11,11-trimethyl-8-methylene-bicyclo[7.2.0]-4-undecene (E)-beta-Caryophylene (-)-caryophyllene (-)-t (E)-Caryophyllene 4,11,11-trimethyl-8-methylene-,[1R-(1R,4E,9S)]-Bicyclo[7.2.0]undec-4-ene TRANS-CARYOPHYLLENE trans-c*
MDL Number	MFCD00075925
PubChem Substance ID	5281515
Beilstein Registry Number	2044564
CAS Number	87-44-5
EC Number	201-746-1
Reaxys-RN	2044564
Merck Number	1875
Chemical Name Translation	β-石竹烯
Wiswesser Line Notation	L49 EY HUTJ B1 B1 EU1 I1
InChI	InChI=1S/C15H24/c1-11-6-5-7-12(2)13-10-15(3,4)14(13)9-8-11/h6,13-14H,2,5,7-10H2,1,3-4H3/b11-6+/t13-,14-/m1/s1

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分类

{SNA} A - D, A-F, All Alphabetically Sorted, Alphabetical, Analytical Standards, Analytical/Chromatography, Basil, Chemical Class, Chromatography, Cinnamomum, Cinnamon, Citrus, Clove, Flavors and Fragrances, Food & Beverage Standards, Food Products & Beverages, Herbs & Spices, Hop, Isoprenoids, Life Sciences Standards,
{SNA} A-D, Alphabetical Listings, C-D, Flavors and Fragrances, Halal Certified Products, Kosher Certified Products
{Chemicalbook} 食品添加剂: 食用香料（增香剂）: 天然等同香料和人造香料

安全信息

WGK Germany1

RTECSDT8400000

Personal Protective Equipment Eyeshields, Gloves

GHS Symbol

Safety Statements

S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触；

Precautionary statements

P262 Do not get in eyes, on skin, or on clothing. 不要接触眼睛，皮肤或衣服。

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

TYPE OF TEST            : LD - Lethal dose
ROUTE OF EXPOSURE       : Intratracheal
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : >48 mg/kg
TOXIC EFFECTS :
   Lungs, Thorax, or Respiration - pulmonary emboli
REFERENCE :
   ARTODN Archives of Toxicology.  (Springer-Verlag, Heidelberger Pl. 3, D-1000
   Berlin 33, Fed. Rep. Ger.)  V.32-    1974-  Volume(issue)/page/year:
   59,78,1986

其他信息

参考质量标准:FCC，1997 旋光度(用100mm管子) -5°～-10° 折射率(n D 20 ) 1.498～1.504 相对密度(d 25 25 ) 0.897～0.910 醇中溶解度(OT-43) lml溶于6ml。95%乙醇，澄明含酚量(OT-37) ≤3.0%β-石竹烯含量 ≥80.0%
方法一:由丁香叶油、丁香茎油、肉桂叶油等中分离而得。
毒性:GRAS(FEMA)。
急性毒性:腹腔-大鼠 LD: >; 48 毫克/公斤
用途一:GB 2760一96规定为允许使用的食用香料。主要用于配制精油仿制品和定香剂。
储运特性:库房低温通风干燥; 防火, 高温, 与氧化剂分开存放
TCI Shanghai:β-石竹烯 beta-Caryophyllene,>;90.0%(GC)(87-44-5)
FEMA:2252
毒性分级:中毒
上游原料:丁香茎油 --> 肉桂 --> 丁香(EUGENIA CARYOPHYLLUS)叶油
类别:易燃液体
反式石竹烯价格(试剂级):更新日期产品编号产品名称包装价格 2014/06/02 C0796 β-石竹烯 beta-Caryophyllene 500ML 1290元 2014/06/02 C0796 β-石竹烯 beta-Caryophyllene 25ML 241元
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） β-石竹烯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
可燃性危险特性:遇高温, 明火, 强氧化剂易燃; 热分解辛辣刺激烟雾
刺激数据:皮肤-兔 500 毫克/24小时轻度
MOL 文件:87-44-5.mol
Sigma Aldrich:87-44-5(sigmaaldrich)
含量分析:按GT-10-4中用极性柱方法测定。
使用限量:FEMA(mg/kg)：软饮料14；冷饮2.0；糖果34；焙烤食品27；胶姆糖200；调味品50。适度为限(FDA 172．515，2000)。
灭火剂:雾水,二氧化碳, 泡沫, 干粉