CAS 3002-23-1 MFCD00008939-6-Methylheptane-2,4-Dione 6-甲基-2,4-庚二酮 TAO{mole}

6-Methylheptane-2,4-Dione 6-甲基-2,4-庚二酮

CAS 3002-23-1 MFCD00008939

化学结构图

SMILES: CC(=O)CC(=O)CC(C)C

化学属性

Mol. Formula	C8H14O2
Mol. Weight	142
Density	0.92 g/mL at 25 °C(lit.)
Refractive index	1.4540 to 1.4580
Flash Point	59°C(lit.)
TSCA	Yes
Boiling Point	183°C(lit.)

别名和识别编码

Chemical Name	6-Methylheptane-2,4-Dione
MDL Number	MFCD00008939
CAS Number	3002-23-1
EC Number	221-093-6
Beilstein Registry Number	1751122
Synonym	6-甲基庚烷-2,4雙酮 6-甲基庚烷-2,4-二酮, 98+% 6-METHYLHEPTANE-2,4-DIONE Isovalerylacetone NSC 42238 NSC 42240 NSC 46469 NSC 94 6-甲基-2,4-庚二酮 2,4-Heptanedione, 6-methyl- AKOS MSC-0372 NSC 42238 6-methyl-4-heptanedione ISOVALERYLACETONE NSC 42240 NSC 46469 6-METHYL-2,4-HEPTANEDIONE 4-Heptanedione,6-methyl-2 6-METHYLHEPTANE-2,4-DIONE, 98+% Isovalerylacetone NSC 94 6-甲基庚烷-2,4-二酮 6-Methylheptan-2,4-dione
PubChem Substance ID	76354
Chemical Name Translation	6-甲基-2,4-庚二酮
Reaxys-RN	1751122
LabNetwork Molecule ID	LN00240719
InChI	InChI=1S/C8H14O2/c1-6(2)4-8(10)5-7(3)9/h6H,4-5H2,1-3H3

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产品应用

Reactant involved in:
Cyclocondensation and deacetylation of dibromo(phenylsulfonyl)propene derivatives for synthesis of disubstituted furans
Synthesis of dual activity effectors of angiotensin II type 1 receptors and peroxisome proliferator-activated receptor-γ
Addition reactions with 1-alkynes
Knoevenagel condensation
? Oxidative free radical reactions with 2-amino-1,4-benzoquinones
? Mild oxidative cleavage for synthesis of carboxylic acids

安全信息

Packing GroupIII

UN Number 1224 UN1224 UN 1993 3/PG 3

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

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 Wear suitable protective clothing 穿戴适当的防护服；
S37 Wear suitable gloves 戴适当手套；

GHS Symbol

WGK Germany3

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

Precautionary statements

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
P501 Dispose of contents/container to..… 处理内容物/容器.....
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。
P332+P313
P337+P313
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
P302+P352+P332+P313+P362+P364
P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
P303+P361+P353
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。

Signal word Warning

Hazard Codes Xi

Hazard Class3

Storage condition 储存温度 2-8°C 2-8°C

其他信息

MOL 文件:3002-23-1.mol
图谱信息:6-甲基-2,4-庚二酮 (3002-23-1)质谱(MS) 6-甲基-2,4-庚二酮 (3002-23-1)红外图谱(IR1) 6-甲基-2,4-庚二酮 (3002-23-1)核磁图( 1 HNMR) 6-甲基-2,4-庚二酮 (3002-23-1)核磁图( 13 CNMR)
Acros Organics:6-Methyl-2,4-heptanedione, 98%(3002-23-1)
color:yellow
TCI Shanghai:6-甲基-2,4-庚二酮 6-Methyl-2,4-heptanedione,>;97.0%(GC)(3002-23-1)
Alfa Aesar:6-甲基庚烷-2，4-二酮,98+% 6-Methylheptane-2,4-dione, 98+%(3002-23-1)
Sigma Aldrich:3002-23-1(sigmaaldrich)