CAS 2244-16-8 MFCD00062997-(S)-2-Methyl-5-(Prop-1-En-2-Yl)Cyclohex-2-Enone (S)-2-甲基-5-(丙基-1-烯-2-基)环己-2-烯酮 TAO{mole}

(S)-2-Methyl-5-(Prop-1-En-2-Yl)Cyclohex-2-Enone (S)-2-甲基-5-(丙基-1-烯-2-基)环己-2-烯酮

CAS 2244-16-8 MFCD00062997

化学结构图

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

化学属性

Mol. Formula	C10
Mol. Weight	150
Density	0.96
Boiling Point	96-98
Refractive index	1.4980 to 1.5000
Flash Point	93°C(lit.)
TSCA	Yes
Melting Point	88.9 ºC
Solubility	<0.1 G/100 ML AT 25 ºC
Appearance	无色至浅黄色油液，呈香芹、莳萝籽和黑面包香味。沸点230℃。溶于丙二醇、植物油和矿物油，混溶于乙醇，不溶于甘油和水。天然品为香芹油(含量50%～60%)和莳萝籽油的主要成分，另含于薄荷油、茴芹等中。

别名和识别编码

Chemical Name	(S)-2-Methyl-5-(Prop-1-En-2-Yl)Cyclohex-2-Enone
Synonym	(+)-CARVONE (+)-Carvone (+)-Carvone, (S)-5-Isopropenyl- (+)-Carvone, (S)-5-Isopropenyl-2-methyl-2-cyclohexenone, p-Mentha-6,8-dien-2-one (S)- (S)-(+)-5-ISOPROPENYL-2-METHYL-2-CYCLOHEXANONE (S)-(+)-5-Isopropenyl-2-methyl-2-cyclohexenone (S)-(+)-Carvone (S)-5-异丙烯基-2-甲基-2-环己烯酮 (S)-p-mentha-1(6),8-dien-2-one (S)-Carvone 2-Cyclohexen-1-one, 2-methyl-5-(1-methylethenyl)-, (5S)- 2-Cyclohexen-1-one, 2-methyl-5-(1-methylethenyl)-, (S)- 2-methyl-5-(1-methylethenyl)-,(S)-2-Cyclohexen-1-one CARVONE, (+)- D(+)- D(+)-Carvon D-1-Methyl-4-isopropenyl-6-cyclohexen-2-one; D-p-Mentha-6,8,(9)-dien-2-one; (S)-(+)-p-Mentha-6,8-d D-6,8(9)-P-MENTHADIEN-2-ONE D-CAVONE D-葛缕子酮 d-Carvone {} {} {} {
MDL Number	MFCD00062997
PubChem Substance ID	16724
Beilstein Registry Number	2042970
CAS Number	2244-16-8
EC Number	218-827-2
Reaxys-RN	2042970
Merck Number	1874
Chemical Name Translation	(S)-2-甲基-5-(丙基-1-烯-2-基)环己-2-烯酮
LabNetwork Molecule ID	LN00199767
InChI	InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)10(11)6-9/h4,9H,1,5-6H2,2-3H3/t9-/m0/s1

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分类

A - D, Alphabetic, Alphabetical, Analytical Standards, Analytical/Chromatography, C, CA - CG, Carum, Chemical Class, Chromatography, Citrus, Environmental Standards, Fungicides, Isoprenoids, Ketones, Life Sciences Standards, Mentha, Natural Compounds, Natural Terpene Standards, Others, Pesticides, Pesticides & Metabolites,
{SNA} A - D,
{Chemicalbook} 食品添加剂: 食用香料（增香剂）: 天然等同香料和人造香料
{SNA} A - D, A-D, Alphabetical Listings, C-D,
{SNA} Asymmetric Synthesis,

安全信息

WGK Germany1

Personal Protective Equipment Eyeshields, Gloves, half-mask respirator (US), multi-purpose combination respirator cartridge (US) Eyeshields, Gloves, half-mask respirator (EU), half-mask respirator (US), multi-purpose combination respirator cartridge (US) Eyeshields, Gloves

Signal word Warning

GHS Symbol

Safety Statements

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

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
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+P317
P302+P352
P302+P352+P333+P313+P362+P364
P305+P351+P338
P312 Call a POISON CENTER or doctor/physician if you feel unwell. 如果你感觉不适，呼叫解毒中心或医生/医师。
P321 Specific treatment (see … on this label). 具体治疗（见本标签上的）。
P330 Rinse mouth. 漱口
P332+P313
P333+P313
P362+P364
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.....

RTECSOS8670000

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

Packing GroupII

Hazard Class6.1(a)

UN Number 2810

Hazard Codes Xi

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 3710 uL/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: 16,673,1978

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Administration onto the skin
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : 4 mL/kg
TOXIC EFFECTS :
   Skin and Appendages - dermatitis, other (after systemic exposure)
REFERENCE :
   FCTXAV Food and Cosmetics Toxicology.  (London, UK)  V.1-19, 1963-81.  For
   publisher information, see FCTOD7.  Volume(issue)/page/year: 16,673,1978

TYPE OF TEST            : Cytogenetic analysis
TEST SYSTEM             : Rodent - hamster Ovary
DOSE/DURATION           : 12500 ug/L
REFERENCE :
   NTPTR* National Toxicology Program Technical Report Series.  (Research
   Triangle Park, NC 27709) No.206-  Volume(issue)/page/year: NTP-TR-381,1990

TYPE OF TEST            : Sister chromatid exchange
TEST SYSTEM             : Rodent - hamster Ovary
DOSE/DURATION           : 167 ug/L
REFERENCE :
   NTPTR* National Toxicology Program Technical Report Series.  (Research
   Triangle Park, NC 27709) No.206-  Volume(issue)/page/year: NTP-TR-381,1990

其他信息

毒性:Adl 0～1.0mg/kg(FAO/WHO。1994)。 GRAS(FDA§182．60，2000)。 LD 50 3710 mg/kg(大鼠，经口)。
F:8-9-23
可燃性危险特性:热分解辛辣刺激烟雾
方法一:可用中性亚硫酸盐法或用硫化氢衍生物从黄蒿油或莳萝油中单离制得。
用途一:用作合成香料
Hazard Note:Irritant
Alfa Aesar:(S)-(+)-香芹酮,96% (S)-(+)-Carvone, 96%(2244-16-8)
类别:有毒物质
Acros Organics:D(+)-香芹酮 D(+)-Carvone, natural, 98%(2244-16-8)
毒性分级:剧毒
Sigma Aldrich:2244-16-8(sigmaaldrich)
刺激数据:皮肤-兔 500 毫克/24小时轻度
储运特性:库房低温通风干燥; 与食品原料分开存放
参考质量标准:FAO/WHO，1998；FCC，1996 含量 ≥95.0% 旋光度(用100mm管子；25℃) +50°～+60° 醇中溶解度(OT-43) lml溶于5mL 60%乙醇折射率(n D 20 ) 1.496～1.499 相对密度(d 25 25 ) 0.955~0.960
不溶于水，溶于乙醇、乙醚、氯仿、丙二醇和矿物油，不溶于甘油。
含量分析:按GT-10-4中用非极性柱方法测定。
急性毒性:口服-大鼠 LD50: 3.71 毫克/公斤
上游原料:氢硫酸 --> 莳萝油 --> 黄蒿油
FEMA:2249
用途二:香料。主要用于配制莳萝甜酒、泡菜和香辛料型香精。
比旋光度:57 ° (c=neat)
MSDS 信息:D-1-Methyl-4-isopropenyl-6-cyclohexen-2-one(2244-16-8).msds
灭火剂:水,二氧化碳, 泡沫, 干粉
海关编码:29142900
MOL 文件:2244-16-8.mol
TCI Shanghai:(S)-(+)-香芹酮 (S)-(+)-Carvone,>;97.0%(GC)(2244-16-8)
右旋香芹酮价格(试剂级):更新日期产品编号产品名称包装价格 2014/06/02 C0704 (S)-(+)-香芹酮 (S)-(+)-Carvone 25ML 513元 2010/06/21 150680250 右旋香芹酮 D(+)-Carvone 98%, natural 25 GR 546元 2010/06/21 377841000 右旋香芹酮 D(+)-Carvone 98%, synthetic 100 ML 1851元
使用限量: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§182．60，2000)。