CAS 646-07-1 MFCD00002803-4-Methylvaleric acid 4-甲基戊酸 TAO{mole}

4-Methylvaleric acid 4-甲基戊酸

CAS 646-07-1 MFCD00002803

化学结构图

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

化学属性

Mol. Formula	C6H12O2
Mol. Weight	116.16
Boiling Point	200.5 °C
TSCA	T
Melting Point	-33 °C
Density	0.923
Refractive index	1.4130 to 1.4160
Flash Point	97°C(lit.)
Solubility	不溶

别名和识别编码

Chemical Name	4-Methylvaleric acid
CAS Number	646-07-1
Alfabeta Name	METHYLPENTANOICACID 4-
MDL Number	MFCD00002803
Synonym	4-Methylpentanoic acid {LY} 4-Methylpentanoic acid {} {LY} 4-Methylpentanoic acid {} {} {LY} 4-Methylpentanoic acid {} {} {} {LY} 4-Methylpentanoic acid {} {} {} {} {LY} 4-Methylpentanoic acid {} {} {} {} {} {LY} 4-Methylpentanoic acid {} {} {} {} {} {} {LY} 4-Methylpentanoic acid {} {} {} {} {} {} {} {LY} 4-Methylpentanoic acid {} {} {} {} {} {} {} {} {LY} 4-Methylpentanoic acid {} {} {} {} {} {} {} {} {} {LY} 4-Methylpentanoic acid {} {} {} {} {} {} {} {} {} {} {LY} 4-Methylpentanoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Methylpentanoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Methylpentanoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Methylpentanoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Methylpentanoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Methylpe
EC Number	211-464-0
Beilstein Registry Number	1741912
PubChem Substance ID	87572755
Reaxys-RN	1741912
Chemical Name Translation	4-甲基戊酸
Wiswesser Line Notation	QV2Y1&1
LabNetwork Molecule ID	LN00116433
InChI	InChI=1S/C6H12O2/c1-5(2)3-4-6(7)8/h5H,3-4H2,1-2H3,(H,7,8)
Canonical SMILES	CC(C)CCC(O)=O

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

产品应用

可用于芝士香精的调配。

安全信息

Warnings STENCH, CORROSIVE

RTECSNR2975000

Packing GroupIII

UN Number 2810

Risk Statements

R21 Harmful in contact with skin 与皮肤接触有害
R38 Irritating to skin 刺激皮肤

Safety Statements

S25 Avoid contact with eyes 避免眼睛接触；
S36/37 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套；
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；
S45 In case of accident or if you feel unwell seek medical advice immediately (show the label where possible) 发生事故时或感觉不适时，立即求医（可能时出示标签）；

GHS Symbol

WGK Germany3

Hazard statements

H303 May be harmfully swallowed 吞食可能有害
H311 Toxic in contact with skin 皮肤接触中毒
H315 Causes skin irritation 会刺激皮肤

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

Precautionary statements

P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
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。
P302+P352+P312+P361+P364
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。
P332+P313
P405 Store locked up. 上锁保管。
P501 Dispose of contents/container to..… 处理内容物/容器.....

Signal word Danger

Hazard Codes 6.1 Xn Xn,C

Hazard Class6.1

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Administration onto the skin
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : 1050 uL/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   UCDS** Union Carbide Data Sheet.  (Union Carbide Corp., 39 Old Ridgebury
   Rd., Danbury, CT 06817)  Volume(issue)/page/year: 2/4/1959

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 2050 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   UCDS** Union Carbide Data Sheet.  (Union Carbide Corp., 39 Old Ridgebury
   Rd., Danbury, CT 06817)  Volume(issue)/page/year: 2/4/1959

Storage condition 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°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {

其他信息

Sigma Aldrich:646-07-1(sigmaaldrich)
上游原料:一氧化碳 --> 3-甲基-1-丁烯
使用限量:FEMA(mg/kg)：无醇饮料、冷冻甜食(冰淇淋等)、胶姆糖，10.0；糖果2.0；焙烤食品、乳及乳制品、调味品，40.0；肉、肉香肠、汤料，20.0。
用途二:可用于芝士香精的调配。
用途一:食用香料。
MSDS 信息:4-甲基戊酸(646-07-1).msds
含量分析:准确称取试样约2.0g，移入一盛有75～100ml水的250ml三角烧瓶中，加酚酞试液(TS-167)，用0.5mol/L NaOH进行滴定，每毫升0.5mol/L NaOH相当于4-甲基戊酸58.08mg。
F:13
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）异己酸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
MOL 文件:646-07-1.mol
4-甲基戊酸价格(试剂级):更新日期产品编号产品名称包装价格 2014/06/02 M0750 4-甲基戊酸 4-Methylvaleric Acid 25ML 449元 2014/06/02 M0457 4-甲基戊酸(含3-甲基戊酸) 4-Methylvaleric Acid (contains 3-Methylvaleric Acid) 25ML 377元 2014/06/02 M0750 4-甲基戊酸 4-Methylvaleric Acid 500ML 3790元
海关编码:29159080
TSCA:T
图谱信息:4-甲基戊酸(646-07-1)红外图谱(IR2) 4-甲基戊酸(646-07-1)红外图谱(IR1) 4-甲基戊酸(646-07-1)Raman光谱
Acros Organics:异己酸(4-甲基戊酸) 4-Methylvaleric acid, 99%(646-07-1)
TCI Shanghai:4-甲基戊酸(含3-甲基正戊酸) 4-Methylvaleric Acid (contains 3-Methylvaleric Acid),>;75.0%(GC)(646-07-1)
参考质量标准:FCC，1997 含量 ≥98.0% 折射率 1.412～1.417 相对密度0.916～0.923 醇中溶解度 lml溶于lmL95%乙醇
下游产品:14-甲基十五烷酸
Alfa Aesar:4-甲基戊酸,99% 4-Methylvaleric acid, 99%(646-07-1)
FEMA:3463
方法一:由异戊烯与甲醛反应而得。由异戊烯与一氧化碳、氢气用UCC法催化加压合成后再氧化而成。
外观性质:无色液体。
毒性:GRAS(FEMA)。