CAS 628-46-6 MFCD00036494-5-Methylhexanoicacid 5-甲基己酸 -LabNovo

5-Methylhexanoicacid 5-甲基己酸

CAS 628-46-6 MFCD00036494

化学结构图

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

化学属性

Mol. Formula	C7H14O2
Mol. Weight	130.18
Boiling Point	216 °C at 760 mmHg
Density	0.91
Refractive index	1.4190 to 1.4220
Flash Point	102°C(lit.)
TSCA	Yes
Melting Point	-55.77 °C

别名和识别编码

Chemical Name	5-Methylhexanoicacid
CAS Number	628-46-6
Alfabeta Name	METHYLHEXANOICACID 5-
MDL Number	MFCD00036494
Synonym	5-Methylhexanoic acid {LY} 5-Methylhexanoic acid {} {LY} 5-Methylhexanoic acid {} {} {LY} 5-Methylhexanoic acid {} {} {} {LY} 5-Methylhexanoic acid {} {} {} {} {LY} 5-Methylhexanoic acid {} {} {} {} {} {LY} 5-Methylhexanoic acid {} {} {} {} {} {} {LY} 5-Methylhexanoic acid {} {} {} {} {} {} {} {LY} 5-Methylhexanoic acid {} {} {} {} {} {} {} {} {LY} 5-Methylhexanoic acid {} {} {} {} {} {} {} {} {} {LY} 5-Methylhexanoic acid {} {} {} {} {} {} {} {} {} {} {LY} 5-Methylhexanoic acid {} {} {} {} {} {} {} {} {} {} {} {LY} 5-Methylhexanoic acid {} {} {} {} {} {} {} {} {} {} {} {} {LY} 5-Methylhexanoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 5-Methylhexanoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 5-Methylhexanoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 5-Methylhexanoic acid {} {} {} {} {} {} {} {} {
Chemical Name Translation	5-甲基己酸
Reaxys-RN	1744722
PubChem Substance ID	87573105
Beilstein Registry Number	1744722
LabNetwork Molecule ID	LN00116547
Canonical SMILES	CC(C)CCCC(O)=O

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安全信息

RTECSMO8400900

Packing GroupIII

UN Number UN3265 3265

Risk Statements

R41 Risk of serious damage to eyes 有严重损伤眼睛的危险
R34 Causes burns 会导致灼伤

Safety Statements

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；
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；
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）；

Signal word Danger

Hazard statements

H290 May be corrosive to metals 可能腐蚀金属。
H318 Causes serious eye damage 严重伤害眼睛

Precautionary statements

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。
P260 Do not breathe dust/fume/gas/mist/vapours/spray. 不要吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
P305+P351+P338+P310
P310 Immediately call a POISON CENTER or doctor/physician. 立即呼救解毒中心或医生/医师。
P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
P301+P330+P331+P310
P303+P361+P353
P304+P340

Hazard Class8

GHS Symbol

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 3 gm/kg
SEX/DURATION            : female 6-15 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Maternal Effects - other effects
REFERENCE :
   NTIS** National Technical Information Service.  (Springfield, VA 22161)
   Formerly U.S. Clearinghouse for Scientific & Technical Information.
   Volume(issue)/page/year: PB91-141838

WGK Germany3

Hazard Codes Xi

Storage condition

其他信息

参考质量标准:FAO/WHO，2001 含量(GT-10-4) ≥95.0% 折射率(n D 20 ) 1.422 相对密度(d 4 24 ) 0.912
使用限量:FEMA(mg/kg)：汤料3.0；小吃食品、仿乳制品，5.0；焙烤制品10.0。
Alfa Aesar:5-甲基己酸,98% 5-Methylhexanoic acid, 98%(628-46-6)
TCI Shanghai:5-甲基己酸 5-Methylhexanoic Acid,>;98.0%(GC)(T)(628-46-6)
MOL 文件:628-46-6.mol
异庚酸价格(试剂级):更新日期产品编号产品名称包装价格 2014/06/02 M1142 5-甲基己酸 5-Methylhexanoic Acid 25ML 701元 2010/05/25 A19012 5-甲基己酸, 98% 5-Methylhexanoic acid, 98% 50g 2562元 2010/05/25 A19012 5-甲基己酸, 98% 5-Methylhexanoic acid, 98% 10g 644元
FEMA:3572
毒性:GRAS(FEMA)。