CAS 6485-40-1 MFCD00001578-(R)-2-Methyl-5-(prop-1-en-2-yl)cyclohex-2-enone L-香芹酮 -LabNovo

(R)-2-Methyl-5-(prop-1-en-2-yl)cyclohex-2-enone L-香芹酮

CAS 6485-40-1 MFCD00001578

化学结构图

SMILES: C=C(C)[C@@H]1CC=C(C)C(=O)C1

化学属性

Mol. Formula	C10H14O
Mol. Weight	150.22
Refractive index	1.4980 to 1.5000
Boiling Point	227-230°C at 760 mmHg
Density	0.959
Flash Point	94°C
TSCA	Yes
Vapor Density	5.2 (vs air)
Vapor Pressure	0.4 mmHg ( 20 °C)
Solubility	难溶
Appearance	无色至淡稻草黄色油液，有留兰香香气。沸点231℃，闪点93.5℃。溶于丙二醇、植物油和矿物油，混溶于乙醇，不溶于甘油和水。天然品为留兰香油(含量可高达70%)的主要成分。
Stability	对空气和光线敏感
Melting Point	25 °C

别名和识别编码

Chemical Name	(R)-2-Methyl-5-(prop-1-en-2-yl)cyclohex-2-enone
Synonym	(-)-Carvone {LY} (-)-Carvone {} {LY} (-)-Carvone {} {} {LY} (-)-Carvone {} {} {} {LY} (-)-Carvone {} {} {} {} {LY} (-)-Carvone {} {} {} {} {} {LY} (-)-Carvone {} {} {} {} {} {} {LY} (-)-Carvone {} {} {} {} {} {} {} {LY} (-)-Carvone {} {} {} {} {} {} {} {} {LY} (-)-Carvone {} {} {} {} {} {} {} {} {} {LY} (-)-Carvone {} {} {} {} {} {} {} {} {} {} {LY} (-)-Carvone {} {} {} {} {} {} {} {} {} {} {} {LY} (-)-Carvone {} {} {} {} {} {} {} {} {} {} {} {} {LY} (-)-Carvone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} (-)-Carvone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} (-)-Carvone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} (-)-Carvone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} (-)-Carvone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {
CAS Number	6485-40-1
PubChem Substance ID	439570
EC Number	229-352-5
Beilstein Registry Number	2206714
MDL Number	MFCD00001578
Reaxys-RN	2206714
Merck Number	1874
Chemical Name Translation	L-香芹酮
Wiswesser Line Notation	L6V BUTJ B1 EY1&U1
LabNetwork Molecule ID	LN00237927
InChI	InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)10(11)6-9/h4,9H,1,5-6H2,2-3H3/t9-/m1/s1
Canonical SMILES	O=C1C(C)=CC[C@@H](C(C)=C)C1

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安全信息

GHS Symbol

WGK Germany2

Hazard statements

H227 Combustible liquid 可燃液体
H302 Harmful if swallowed 吞食有害
H317 May cause an allergic skin reaction 可能导致皮肤过敏

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

Signal word Warning

Safety Statements

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

Risk Statements

R22 Harmful if swallowed 吞咽有害

Precautionary statements

P210 Keep away from heat/sparks/open flames/hot surfaces. — No smoking. 远离热源/火花/明火/热的表面。——禁止吸烟。
P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
P262 Do not get in eyes, on skin, or on clothing. 不要接触眼睛，皮肤或衣服。
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。
P272 Contaminated work clothing should not be allowed out of the workplace. 污染的工作服不得带出工作场所。
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+P312
P301+P312+P330
P302+P352
P305+P351+P338
P321 Specific treatment (see … on this label). 具体治疗（见本标签上的）。
P330 Rinse mouth. 漱口
P333+P313
P363 Wash contaminated clothing before reuse. 被污染的衣服洗净后方可重新使用。
P370+P378
P403+P235
P501 Dispose of contents/container to..… 处理内容物/容器.....

RTECSOS8650000

Hazard Codes Xn

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 {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 1640 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: 11,1057,1973

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 56 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems
   Laboratory, NIOSH Exchange Chemicals.  (Aberdeen Proving Ground, MD 21010)
   Volume(issue)/page/year: NX#02834

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - guinea pig
DOSE/DURATION           : 766 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: 11,1057,1973

其他信息

用途二:香料。主要用于配制留兰香型香精。
毒性分级:中毒
储运特性:库房低温通风干燥
左旋香芹酮价格(试剂级):更新日期产品编号产品名称包装价格 2011/04/16 C0703 (R)-(-)-香芹酮 (R)-(-)-Carvone 25ML 208元 2011/04/16 C0703 (R)-(-)-香芹酮 (R)-(-)-Carvone 500ML 1210元 2010/06/21 154595000 左旋香芹酮 L(-)-Carvone
可燃性危险特性:热分解辛辣刺激烟雾
MOL 文件:6485-40-1.mol
蒸气密度:5.2 (vs air)
FEMA:2249
Alfa Aesar:(R)-(-)-香芹酮,98% (R)-(-)-Carvone, 98%(6485-40-1)
MSDS 信息:L(-)-Carvone(6485-40-1).msds
左旋香芹酮价格(试剂级):更新日期产品编号产品名称包装价格 2014/06/02 C0703 (R)-(-)-香芹酮 (R)-(-)-Carvone 25ML 176元 2014/06/02 C0703 (R)-(-)-香芹酮 (R)-(-)-Carvone 500ML 1070元 2010/06/21 154595000 左旋香芹酮 L(-)-Carvone 99+% 500 GR 1756元
Sigma Aldrich:6485-40-1(sigmaaldrich)
参考质量标准:FCC，1996 含量 ≥95.0% 旋光度(用100mm管子；25℃) -57°～-62° 醇中溶解度(OT-43) lml溶于2mL 70%乙醇折射率(n D 20 ) 1.495～1.499 相对密度(d 25 25 ) 0.956～0.960
含量分析:按GT-10-4中用非极性柱方法测定。
Acros Organics:L-(-)-香芹酮 L(-)-Carvone, 99+%(6485-40-1)
上游原料:氢硫酸 --> 磺酸 --> (+)-柠檬烯 --> 留兰香油
类别:有毒物质
海关编码:29142900
图谱信息:左旋香芹酮(6485-40-1)核磁图( 1 HNMR) 左旋香芹酮(6485-40-1)红外图谱(IR1) 左旋香芹酮(6485-40-1)质谱(MS) 左旋香芹酮(6485-40-1)核磁图( 13 CNMR) 左旋香芹酮(6485-40-1)Raman光谱
使用限量:GB 2760--1996规定为允许使用的食用香料。 FEMA(mg/kg)：软饮料850；冷饮120；糖果180；焙烤食品110；酒类130。适度为限(FDA，§172．515，2000)。
灭火剂:水,二氧化碳, 泡沫, 干粉
F:8-10-23
急性毒性:口服-大鼠 LD50: 1640 毫克/公斤; 静脉-小鼠 LD50: 56 毫克/公斤
用途一:用于食品如口香糖等的香味添加剂，是橡皮糖调和香料的主要原料，也用于医药以及牙膏等的调和香料
比旋光度:-57 ° (neat)
蒸气压:0.4 mm Hg ( 20 °C)
方法一:用中性亚硫酸盐法或硫化氢衍生物法从留兰香油中单离而得。由d-芋烯合成而得。
TCI Shanghai:(R)-(-)-香芹酮 (R)-(-)-Carvone,>;99.0%(GC)(6485-40-1)
实际上不溶于水，溶于醇、醚、氯仿、丙二醇和矿物油；不溶于甘油。
毒性:ADI未作规定(FAO/WHO，1994)。 GRAS(FDA，§182．60，2000)。 LD50 1640 mg/kg(大鼠，经口)。

(R)-2-Methyl-5-(prop-1-en-2-yl)cyclohex-2-enone L-香芹酮

CAS 6485-40-1 MFCD00001578

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