CAS 589-82-2 MFCD00004586-3-Heptanol 3-庚醇 TAO{mole}

3-Heptanol 3-庚醇

CAS 589-82-2 MFCD00004586

化学结构图

SMILES: CCCCC(O)CC

化学属性

Mol. Formula	C7H16O
Mol. Weight	116.20
Refractive index	1.4200 to 1.4230
Boiling Point	66 °C at 20 mmHg
Density	0.821 g/mL at 20 °C
Flash Point	60°C(lit.)
Solubility	微溶于水。
Melting Point	-70 °C

别名和识别编码

Chemical Name	(±)-3-Heptanol
Synonym	3-Heptanol {LY} 3-Heptanol {} {LY} 3-Heptanol {} {} {LY} 3-Heptanol {} {} {} {LY} 3-Heptanol {} {} {} {} {LY} 3-Heptanol {} {} {} {} {} {LY} 3-Heptanol {} {} {} {} {} {} {LY} 3-Heptanol {} {} {} {} {} {} {} {LY} 3-Heptanol {} {} {} {} {} {} {} {} {LY} 3-Heptanol {} {} {} {} {} {} {} {} {} {LY} 3-Heptanol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Heptanol {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Heptanol {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Heptanol {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Heptanol {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Heptanol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Heptanol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Heptanol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Heptanol {} {} {} {} {} {} {} {} {} {} {} {} {}
CAS Number	589-82-2
PubChem Substance ID	11520
EC Number	209-661-1
Beilstein Registry Number	1(1)205
MDL Number	MFCD00004586
Reaxys-RN	1719067
Chemical Name Translation	3-庚醇
Wiswesser Line Notation	QY4&2
LabNetwork Molecule ID	LN00194664
InChI	InChI=1S/C7H16O/c1-3-5-6-7(8)4-2/h7-8H,3-6H2,1-2H3
Canonical SMILES	CCC(O)CCCC

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安全信息

GHS Symbol

WGK Germany3

Hazard statements

H226 Flammable liquid and vapour 易燃液体和蒸气
H302 Harmful if swallowed 吞食有害

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

Hazard Codes Xn

RTECSMJ3150000

Signal word Warning {} {} {} {} {} {} {TCI}

UN Number 1987 UN 1987 3/PG 3

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。
P233 Keep container tightly closed. ?保持容器密闭。
P240 Ground/bond container and receiving equipment. 与地面接触/连接集装箱和接受设备。
P241 Use explosion-proof electrical/ventilating/lighting/…/equipment. 使用防爆电气/通风/照明/ .../设备。
P242 Use only non-sparking tools. 只能使用无火花工具。
P243 Take precautionary measures against static discharge. 采取预防措施，防止静电放电。
P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
P270 Do not eat, drink or smoke when using this product. 使用本产品时不要吃东西，喝水或吸烟。
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。
P301+P312
P301+P312+P330
P301+P317
P303+P361+P353
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。
P330 Rinse mouth. 漱口
P370+P378
P403+P235
P501 Dispose of contents/container to..… 处理内容物/容器.....

Safety Statements

S23 Do not breathe gas/fumes/vapour/spray (appropriate wording to be specified by the manufacturer) 不要吸入气体/烟雾/蒸汽/喷雾；
S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触；

Risk Statements

R22 Harmful if swallowed 吞咽有害

Packing GroupIII

Hazard Class3

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 1870 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   AMIHBC AMA Archives of Industrial Hygiene and Occupational Medicine.
   (Chicago, IL)  V.2-10, 1950-54. For publisher information, see AEHLAU.
   Volume(issue)/page/year: 4,119,1951

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Administration onto the skin
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : 4360 uL/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   AMIHBC AMA Archives of Industrial Hygiene and Occupational Medicine.
   (Chicago, IL)  V.2-10, 1950-54. For publisher information, see AEHLAU.
   Volume(issue)/page/year: 4,119,1951

Storage condition

其他信息

刺激数据:皮肤- 兔子 500 毫克/ 24小时轻度; 眼睛- 兔子 20 毫克/ 24小时中度
储运特性:库房通风低温干燥
FEMA:3547
参考质量标准:FAO/WHO，1998 含量(GT-10-4) ≥99.0% 折射率(n D 20 ) 1.420 相对密度(d 25 25 ) 0.815～0.821
可燃性危险特性:遇明火、高温、强氧化剂可燃；燃烧排放刺激烟雾
TCI Shanghai:3-庚醇 3-Heptanol,>;98.0%(GC)(589-82-2)
毒性分级:中毒
灭火剂:泡沫、二氧化碳、干粉、砂土、1211
类别:易燃液体
用途一:食品用香料。主要用于配制香辛料类香精。
图谱信息:3-庚醇(589-82-2)红外图谱(IR1) 3-庚醇(589-82-2)质谱(MS) 3-庚醇(589-82-2)核磁图( 13 CNMR) 3-庚醇(589-82-2)核磁图( 1 HNMR)
急性毒性:口服- 大鼠 LD50: 1870 毫克/ 公斤
外观性质:无色液体。
MSDS 信息:3-庚醇(589-82-2).msds
3-庚醇价格(试剂级):更新日期产品编号产品名称包装价格 2011/08/23 30096780 3-庚醇;乙基正丁基甲醇;3-羟基正庚烷 100g 1014元 2011/08/23 K5182001 3-庚醇;乙基正丁基甲醇;3-羟基正庚烷 100ml 1530元 2011/04/16 H0035 3-庚醇 3-Heptanol 500ML 5280元
Sigma Aldrich:589-82-2(sigmaaldrich)
MOL 文件:589-82-2.mol
使用限量:FEMA(mg/kg)：焙烤制品18.0；冷冻甜食8.8；软糖13.5；布丁类8.2；无醇饮料7.8；含醇饮料6.3。 FDA，§172．515：适量为限。
方法一:由乙丁酮催化氢化而得。
毒性:GRAS(FEMA)。