CAS 821-55-6 MFCD00009553-Heptyl methyl ketone 2-壬酮 TAO{mole}

Heptyl methyl ketone 2-壬酮

CAS 821-55-6 MFCD00009553

化学结构图

SMILES: CCCCCCCC(C)=O

化学属性

Mol. Formula	C9H18O
Mol. Weight	142.24
Density	0.82
Refractive index	1.4190 to 1.4230
Boiling Point	192 °C at 743 mmHg
Melting Point	-21 °C
Flash Point	76°C(lit.)
TSCA	Yes
Solubility	CA 0.5 G/L
Appearance	无色至淡黄色液体。呈水果、花、油脂和药草似香气。沸点195℃。溶于乙醇、丙二醇和油脂，不溶于水。

别名和识别编码

Chemical Name	Heptyl methyl ketone
Synonym	Heptyl methyl ketone {LY} Heptyl methyl ketone {} {LY} Heptyl methyl ketone {} {} {LY} Heptyl methyl ketone {} {} {} {LY} Heptyl methyl ketone {} {} {} {} {LY} Heptyl methyl ketone {} {} {} {} {} {} {} {} {} {} {LY} Heptyl methyl ketone {} {} {} {} {} {} {LY} Heptyl methyl ketone {} {} {} {} {} {} {} {LY} Heptyl methyl ketone {} {} {} {} {} {} {} {} {LY} Heptyl methyl ketone {} {} {} {} {} {} {} {} {} {LY} Heptyl methyl ketone {} {} {} {} {} {} {} {} {} {} {LY} Heptyl methyl ketone {} {} {} {} {} {} {} {} {} {} {} {LY} Heptyl methyl ketone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Heptyl methyl ketone {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Heptyl methyl ketone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Heptyl methyl ketone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Heptyl methyl ketone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {
CAS Number	821-55-6
EC Number	212-480-0
Beilstein Registry Number	1,709
MDL Number	MFCD00009553
PubChem Substance ID	87573651
Chemical Name Translation	2-壬酮
Reaxys-RN	1743645
Wiswesser Line Notation	7V1
LabNetwork Molecule ID	LN00221939
Canonical SMILES	CC(CCCCCCC)=O

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安全信息

Signal word

GHS Symbol

WGK Germany1

Safety Statements

S39 Wear eye/face protection 戴眼睛/面孔保护装置；
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；
S36 Wear suitable protective clothing 穿戴适当的防护服；
S36/37/39 Wear suitable protective clothing, gloves and eye/face protection 穿戴适当的防护服、手套和眼睛/面保护；

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

Precautionary statements

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。
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
P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
P501 Dispose of contents/container to..… 处理内容物/容器.....
P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
P305+P351+P338
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。
P332+P313
P370+P378
P305+P351+P338+P337+P313
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。
P302+P352+P332+P313+P362+P364

Hazard statements

H315 Causes skin irritation 会刺激皮肤
H319 Causes serious eye irritation 严重刺激眼睛
H335 May cause respiratory irritation 可能导致呼吸道刺激
H412 Harmfutoaquaticlifewithlonglastingeffects 对水生生物有害并具有长期影响。
H227 Combustible liquid 可燃液体

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

RTECSRA8225000

Hazard Codes Xn Xi Xi,Xn

UN Number 1993

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 3200 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   KODAK* Kodak Company Reports.  (343 State St., Rochester, NY 14650)
   Volume(issue)/page/year: 21MAY1971

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 7994 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   TOLED5 Toxicology Letters.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1977-  Volume(issue)/page/year: 30,13,1986

TYPE OF TEST            : LC - Lethal concentration
ROUTE OF EXPOSURE       : Inhalation
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : >3980 mg/m3/6H
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   KODAK* Kodak Company Reports.  (343 State St., Rochester, NY 14650)
   Volume(issue)/page/year: 21MAY1971

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Administration onto the skin
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : >5 gm/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   FCTOD7 Food and Chemical Toxicology.  (Pergamon Press Inc., Maxwell House,
   Fairview Park, Elmsford, NY 10523)  V.20-    1982- Volume(issue)/page/year:
   26,393,1988

Storage condition Store at room temperature {LY} Store at room temperature {} {LY} Store at room temperature {} {} {LY} Store at room temperature {} {} {} {LY} Store at room temperature {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}

其他信息

TCI Shanghai:2-壬酮 2-Nonanone,>;98.0%(GC)(821-55-6)
FEMA:2785
Alfa Aesar:2-壬酮,98+% 2-Nonanone, 98+%(821-55-6)
用途一:GB 2760--1996规定为允许使用的食用香料。
毒性:GRAS(FEMA；FDA，§172．515，2000)。
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） 2-壬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
方法一:由甲基庚基原醇用铬酸在室温下氧化而成。
不溶于水，溶于乙醇和丙酮，水溶性:0.5 g/L。
MOL 文件:821-55-6.mol
Acros Organics:2-壬酮 2-Nonanone, 99+%(821-55-6)
海关编码:29141990
2-壬酮价格(试剂级):更新日期产品编号产品名称包装价格 2011/08/23 A10873102 2-壬酮;甲基庚基酮; 2-酮基壬烷 100g 576元 2011/08/23 30136281 2-壬酮;甲基庚基酮; 2-酮基壬烷 100ml 501.9元 2011/04/16 N0293 2-壬酮 2-Nonanone 25ML 182元
使用限量:FEMA(mg/kg)：饮料0.55；冰淇淋0.10～1.0；糖果和焙烤食品，0.40～4.0。适度为限(FDA，§172．515，2000)。
MSDS 信息:2-Nonanone(821-55-6).msds
图谱信息:2-壬酮(821-55-6)核磁图( 13 CNMR) 2-壬酮(821-55-6)红外图谱(IR1) 2-壬酮(821-55-6)Raman光谱 2-壬酮(821-55-6)核磁图( 1 HNMR) 2-壬酮(821-55-6)质谱(MS)
含量分析:按气液色谱法(GT-10-4)用极性柱进行测定。
Sigma Aldrich:821-55-6(sigmaaldrich)
参考质量标准:FCC，1996；FAO/WHO，1998 含量 ≥97.0% 折射率 1.418～1.423 相对密度 0.817~0.823 醇中溶解度 lml溶于lmL 95%乙醇