CAS 3848-24-6 MFCD00009398-2,3-HEXANEDIONE 2,3-己烷二酮 -LabNovo

2,3-HEXANEDIONE 2,3-己烷二酮

CAS 3848-24-6 MFCD00009398

化学结构图

SMILES: CCCC(=O)C(C)=O

化学属性

Mol. Formula	C6H10O2
Mol. Weight	114.14
Refractive index	n20/D 1.409
Vapor Density	3.9 (vs air)
Boiling Point	128 °C at 760 mmHg
Vapor Pressure	10 mmHg ( 20 °C)
Density	0.930 g/mL at 25 °C
Flash Point	28°(82°F)
TSCA	Yes
Melting Point	-30 °C
Appearance	黄色油状液体。呈奶油甜香味(弱于双乙酰)，有奶油和干酪味。沸点128℃。微溶于水，溶于丙二醇、乙醇和油类。天然品存在于桃、烤鸡、牛肉、咖啡、发酵酱油等中。

别名和识别编码

Chemical Name	2,3-HEXANEDIONE
Synonym	Hexane-2,3-dione {LY} Hexane-2,3-dione {} {LY} Hexane-2,3-dione {} {} {LY} Hexane-2,3-dione {} {} {} {LY} Hexane-2,3-dione {} {} {} {} {LY} Hexane-2,3-dione {} {} {} {} {} {LY} Hexane-2,3-dione {} {} {} {} {} {} {LY} Hexane-2,3-dione {} {} {} {} {} {} {} {LY} Hexane-2,3-dione {} {} {} {} {} {} {} {} {LY} Hexane-2,3-dione {} {} {} {} {} {} {} {} {} {LY} Hexane-2,3-dione {} {} {} {} {} {} {} {} {} {} {LY} Hexane-2,3-dione {} {} {} {} {} {} {} {} {} {} {} {LY} Hexane-2,3-dione {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Hexane-2,3-dione {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Hexane-2,3-dione {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Hexane-2,3-dione {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Hexane-2,3-dione {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
MDL Number	MFCD00009398
CAS Number	3848-24-6
PubChem Substance ID	19707
EC Number	223-350-8
Beilstein Registry Number	1699896
Chemical Name Translation	2,3-己烷二酮
Wiswesser Line Notation	3VV1
LabNetwork Molecule ID	LN00222306
InChI	InChI=1S/C6H10O2/c1-3-4-6(8)5(2)7/h3-4H2,1-2H3
Canonical SMILES	CCCC(=O)C(=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

GHS Symbol

WGK Germany2

Hazard statements

H226 Flammable liquid and vapour 易燃液体和蒸气
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

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

RTECSMO3140000

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。
P370+P378
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

Signal word Warning

Packing GroupIII

UN Number UN 1224 3/PG 3 UN1224 1224

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
R10 Flammable 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；
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；
S37 Wear suitable gloves 戴适当手套；
S16 Keep away from sources of ignition - No smoking 远离火源，禁止吸烟；

Hazard Codes Xi

Hazard Class3

Storage condition Flammables area 充氩密封

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : >5 gm/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: 17,697,1979

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 :
   FCTXAV Food and Cosmetics Toxicology.  (London, UK)  V.1-19, 1963-81.  For
   publisher information, see FCTOD7.  Volume(issue)/page/year: 17,697,1979

其他信息

图谱信息:2,3-已二酮(3848-24-6)红外图谱(IR2) 2,3-已二酮(3848-24-6)红外图谱(IR1) 2,3-已二酮(3848-24-6)核磁图( 1 HNMR)
Sigma Aldrich:3848-24-6(sigmaaldrich)
下游产品:2-甲基-3-异丁基吡嗪
上游原料:钨酸钠 --> 2-己酮
方法一:由丙醛与乙酰乙酸乙酯缩聚后，经氧化(H2O2和钨酸钠)、水解后脱羧基而得。或由甲丁酮与乙丙酮经单肟而得。
蒸气压:10 mm Hg ( 20 °C)
MOL 文件:3848-24-6.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） 2，3-己二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
使用限量:FEMA(mg/kg)：软饮料6.6；冷饮4.8；糖果7.3；焙烤制品6.6。 FDA，§172．515：适量为限。
参考质量标准:FAO/WHO，1998 含量(GT-10-4) ≥90.0% 折射率(n D 20 ) 1.409～1.419
蒸气密度:3.9 (vs air)
2,3-已二酮价格(试剂级):更新日期产品编号产品名称包装价格 2010/06/21 386220250 2,3-已二酮 2,3-Hexanedione 90+% 25 GR 958元 2010/06/21 386221000 2,3-已二酮 2,3-Hexanedione 90+% 100 GR 3160元 2010/05/25 L04669 2,3-己烷二酮, 94% 2,3-Hexanedione, 94% 5g 204元
FEMA:2558
Acros Organics:2,3-Hexanedione, 90+%(3848-24-6)
用途一:GB 2760—1997规定为允许使用的食品用香料。
Alfa Aesar:2,3-己烷二酮,94% 2,3-Hexanedione, 94%(3848-24-6)
毒性:GRAS(FEMA)。