CAS 106-73-0 MFCD00009537-Methyl heptanoate 庚酸甲酯 TAO{mole}

Methyl heptanoate 庚酸甲酯

CAS 106-73-0 MFCD00009537

化学结构图

SMILES: CCCCCCC(=O)OC

化学属性

Mol. Formula	C8H16O2
Mol. Weight	144.21
Refractive index	1.4100 to 1.4130
Boiling Point	172-173 °C at 760 mmHg
Density	0.880 g/mL at 20 °C(lit.)
Flash Point	52°C(lit.)
Melting Point	-56 °C

别名和识别编码

Chemical Name	Methyl heptanoate
MDL Number	MFCD00009537
CAS Number	106-73-0
Synonym	Methyl heptanoate {LY} Methyl heptanoate {} {LY} Methyl heptanoate {} {} {LY} Methyl heptanoate {} {} {} {LY} Methyl heptanoate {} {} {} {} {LY} Methyl heptanoate {} {} {} {} {} {LY} Methyl heptanoate {} {} {} {} {} {} { {} {} {} {} {} {} {LY} Methyl heptanoate {} {} {} {} {} {} {} {LY} Methyl heptanoate {} {} {} {} {} {} {} {} {LY} Methyl heptanoate {} {} {} {} {} {} {} {} {} {LY} Methyl heptanoate {} {} {} {} {} {} {} {} {} {} {LY} Methyl heptanoate {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl heptanoate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl heptanoate {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl heptanoate {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl heptanoate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl heptanoate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
PubChem Substance ID	7826
EC Number	203-428-8
Beilstein Registry Number	2(4)960
Reaxys-RN	1747147
Chemical Name Translation	庚酸甲酯
LabNetwork Molecule ID	LN00226889
InChI	InChI=1S/C8H16O2/c1-3-4-5-6-7-8(9)10-2/h3-7H2,1-2H3
Canonical SMILES	O=C(CCCCCC)OC

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分类

{Chemicalbook} 食品添加剂: 食用香料（增香剂）: 天然等同香料和人造香
{SNA} Additional Standards, Alcoholic & Nonalcoholic Beverages, Analytical Standards, Animal Products, Apple,
{SNA} Additional Standards, Alcoholic & Nonalcoholic Beverages, Analytical Standards, Animal Products, Apple, Blackberry, Cheese, Chemical Class, Cranberry, Dairy Products, Ester, Esters, Fatty Acids, Flavor and Fragrance Standards, Food & Beverage Standards, Food and Cosmetic Component Standards, Fruits, Herbs & Spices, Hop, Lipid Analytical Standards, M-R,

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

RTECSMJ2297500

Precautionary statements

P241 Use explosion-proof electrical/ventilating/lighting/…/equipment. 使用防爆电气/通风/照明/ .../设备。
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。
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
P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
P501 Dispose of contents/container to..… 处理内容物/容器.....
P332+P313
P240 Ground/bond container and receiving equipment. 与地面接触/连接集装箱和接受设备。
P370+P378
P305+P351+P338+P337+P313
P303+P361+P353

Signal word Warning

Hazard Codes Xi

Safety Statements

S36 Wear suitable protective clothing 穿戴适当的防护服；
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；

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

UN Number 3272 UN 3272 3/PG 3 1993

Packing GroupIII

Hazard Class3

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 :
   FCTOD7 Food and Chemical Toxicology.  (Pergamon Press Inc., Maxwell House,
   Fairview Park, Elmsford, NY 10523)  V.20-    1982- Volume(issue)/page/year:
   26,381,1988

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 :
   FCTOD7 Food and Chemical Toxicology.  (Pergamon Press Inc., Maxwell House,
   Fairview Park, Elmsford, NY 10523)  V.20-    1982- Volume(issue)/page/year:
   26,381,1988

Storage condition Store at room temperature {LY} Store at room temperature {} {LY} Store at room temperature {} {} {LY} Store at room temperature {} {} {} {LY} Store at room temperature {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room te

其他信息

Sigma Aldrich:106-73-0(sigmaaldrich)
参考质量标准:FAO/WHO，1997 含量(GT-10-4) ≥99.0% 折射率(n D 20 ) 1.4114～1.41334 相对密度(d 20 20 ) 0.87115
下游产品:米索前列醇 --> 3-(2-氯-3,3,3-三氟-1-丙烯基)-2,2-二甲基环丙烷羧酸甲酯
TCI Shanghai:庚酸甲酯[标准物质] Methyl Heptanoate [Standard Material],>;99.5%(GC)(106-73-0)
图谱信息:庚酸甲酯(106-73-0)质谱(MS) 庚酸甲酯(106-73-0)核磁图( 13 CNMR) 庚酸甲酯(106-73-0)红外图谱(IR1) 庚酸甲酯(106-73-0)Raman光谱庚酸甲酯(106-73-0)核磁图( 1 HNMR) 庚酸甲酯(106-73-0)红外图谱(IR2)
庚酸甲酯价格(试剂级):更新日期产品编号产品名称包装价格 2014/06/02 S0305 庚酸甲酯[标准物质] Methyl Heptanoate [Standard Material for GC] 5ML 1510元 2014/06/02 H0032 庚酸甲酯 Methyl Heptanoate 500ML 1170元 2014/06/02 H0032 庚酸甲酯 Methyl Heptanoate 25ML 173元
使用限量:FEMA(mg/kg)：焙烤制品0.50～0.60；糖果0.33；无醇饮料0.80；冷饮0.83。 FDA(§172．515，2000)：适度为限。
用途一:用于有机合成及香料合成
毒性:GRAS(FEMA)。 LD 50 ＞5 g/kg(大鼠，口授)。
FEMA:2705
MOL 文件:106-73-0.mol