CAS 1119-44-4 MFCD00015564-Hept-3-En-2-One 3-庚烯2-酮 -LabNovo

Hept-3-En-2-One 3-庚烯2-酮

CAS 1119-44-4 MFCD00015564

化学结构图

SMILES: CCC/C=C\C(C)=O

化学属性

Mol. Formula	C7H12O
Mol. Weight	112.17
Density	0.805 g/mL at 25 °C(lit.)
Refractive index	1.4420 to 1.4450
Flash Point	49°C(lit.)
TSCA	Yes
Boiling Point	157.8°C at 760 mmHg
Appearance	)1.4325，反式(n D )1.4436。几不溶于水，溶于乙醇和油类。 20 天然品存在于炒榛子等中。 4 )0.8496。折射率，顺式(n 无色油状液体，呈强烈尖刺青草气味。沸点162℃，顺式34～39℃(1466Pa)，反式51～52℃(1466Pa)。相对密度，顺式(d )0.8840，反式(d

别名和识别编码

Chemical Name	Hept-3-En-2-One
Synonym	Hept-3-en-2-one {LY} Hept-3-en-2-one {} {LY} Hept-3-en-2-one {} {} {LY} Hept-3-en-2-one {} {} {} {LY} Hept-3-en-2-one {} {} {} {} {LY} Hept-3-en-2-one {} {} {} {} {} {LY} Hept-3-en-2-one {} {} {} {} {} {} {LY} Hept-3-en-2-one {} {} {} {} {} {} {} {LY} Hept-3-en-2-one {} {} {} {} {} {} {} {} {LY} Hept-3-en-2-one {} {} {} {} {} {} {} {} {} {LY} Hept-3-en-2-one {} {} {} {} {} {} {} {} {} {} {LY} Hept-3-en-2-one {} {} {} {} {} {} {} {} {} {} {} {LY} Hept-3-en-2-one {} {} {} {} {} {} {} {} {} {} {} {} {LY} Hept-3-en-2-one {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Hept-3-en-2-one {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Hept-3-en-2-one {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Hept-3-en-2-one {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Hept-3-en-2-one {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Hept-3-en-2-one {} {} {} {} {} {} {} {} {}
MDL Number	MFCD00015564
CAS Number	1119-44-4
EC Number	214-278-8
Beilstein Registry Number	1(4)3481
Chemical Name Translation	3-庚烯2-酮
Reaxys-RN	1739239
PubChem Substance ID	5364578
InChIKey	JHHZQADGLDKIPM-AATRIKPKSA-N
LabNetwork Molecule ID	LN02219981
InChI	InChI=1S/C7H12O/c1-3-4-5-6-7(2)8/h5-6H,3-4H2,1-2H3/b6-5+
Canonical SMILES	CCCC=CC(=O)C

信息真实价格透明资金保障专业采购外包团队在线服务

品牌质保精细包装现货库存一流品牌服务

安全信息

Packing GroupIII

UN Number 1224 UN1224

Risk Statements

R10 Flammable 易燃
R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
R11 Highly flammable 非常易燃

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；
S16 Keep away from sources of ignition - No smoking 远离火源，禁止吸烟；
S60 This material and its container must be disposed of as hazardous waste 该物质及其容器必须作为危险废物处置；
S37 Wear suitable gloves 戴适当手套；
S23 Do not breathe gas/fumes/vapour/spray (appropriate wording to be specified by the manufacturer) 不要吸入气体/烟雾/蒸汽/喷雾；

GHS Symbol

WGK Germany3

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。
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。
P305+P351+P338
P303+P361+P353
P501 Dispose of contents/container to..… 处理内容物/容器.....
P233 Keep container tightly closed. ?保持容器密闭。
P240 Ground/bond container and receiving equipment. 与地面接触/连接集装箱和接受设备。
P370+P378
P241 Use explosion-proof electrical/ventilating/lighting/…/equipment. 使用防爆电气/通风/照明/ .../设备。

Hazard statements

H226 Flammable liquid and vapour 易燃液体和蒸气
H315 Causes skin irritation 会刺激皮肤
H225 Highly flammable liquid and vapour 高度易燃液体和蒸气
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

Signal word Danger Warning

Hazard Codes F Xi

Hazard Class3

Storage condition 2-8°C {LY} 2-8°C Store at room temperature {} {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 {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°

其他信息

MOL 文件:1119-44-4.mol
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） 3-庚烯-2-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
FEMA:3400
使用限量:FEMA(mg/kg)：软饮料、冷饮1.0；糖果、焙烤食品、胶冻、布丁2.0；牛奶、乳制品0.7。
方法一:顺式由1-戊炔与醋酐反应而得3-庚炔-2-酮，然后部分催化加氢而成。反式由反-2-已烯酸用甲基锂处理而得。由丁醛与丙酮在碱性条件下缩合而得
下游产品:稀禾定 --> 5-[2-(乙硫基)丙基]-1,3-环己二酮
上游原料:丁醛 --> 3-庚炔 --> 1-戊炔 --> 反-2-已烯
用途一:GB 2760--1996规定为允许使用的食品用香料。
Alfa Aesar:3-庚烯2-酮,97% 3-Hepten-2-one, 97%(1119-44-4)
毒性:GRAS(FEMA)。
TCI Shanghai:3-庚烯-2-酮 3-Hepten-2-one,>;96.0%(GC)(1119-44-4)