CAS 502-41-0 MFCD00004150-Cycloheptanol 环庚醇 TAO{mole}

Cycloheptanol 环庚醇

CAS 502-41-0 MFCD00004150

化学结构图

SMILES: OC1CCCCCC1

化学属性

Mol. Formula	C7H14O
Mol. Weight	114.19
Density	0.948 g/mL at 25 °C(lit.)
Boiling Point	181.8 °C at 760 mmHg
Refractive index	1.4750 to 1.4790
Flash Point	71°C(lit.)
TSCA	No
Solubility	不溶
Melting Point	7.2 °C

别名和识别编码

Chemical Name	Cycloheptanol
MDL Number	MFCD00004150
PubChem Substance ID	10399
Beilstein Registry Number	6,10
CAS Number	502-41-0
EC Number	207-936-0
Reaxys-RN	2036375
Synonym	Cycloheptanol {LY} Cycloheptanol {} {LY} Cycloheptanol {} {} {LY} Cycloheptanol {} {} {} {LY} Cycloheptanol {} {} {} {} {LY} Cycloheptanol {} {} {} {} {} {LY} Cycloheptanol {} {} {} {} {} {} {LY} Cycloheptanol {} {} {} {} {} {} {} {LY} Cycloheptanol {} {} {} {} {} {} {} {} {LY} Cycloheptanol {} {} {} {} {} {} {} {} {} {LY} Cycloheptanol {} {} {} {} {} {} {} {} {} {} {LY} Cycloheptanol {} {} {} {} {} {} {} {} {} {} {} {LY} Cycloheptanol {} {} {} {} {} {} {} {} {} {} {} {} {LY} Cycloheptanol {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Cycloheptanol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Cycloheptanol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Cycloheptanol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Cycloheptanol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {}
Chemical Name Translation	环庚醇
Merck Number	14,2722
InChIKey	QCRFMSUKWRQZEM-UHFFFAOYSA-N
LabNetwork Molecule ID	LN00238300
InChI	InChI=1S/C7H14O/c8-7-5-3-1-2-4-6-7/h7-8H,1-6H2
Canonical SMILES	OC1CCCCCC1

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安全信息

WGK Germany3

Hazard statements

H226 Flammable liquid and vapour 易燃液体和蒸气
H227 Combustible liquid 可燃液体

GHS Symbol

Personal Protective Equipment Eyeshields, Gloves, half-mask respirator (US), multi-purpose combination respirator cartridge (US) Eyeshields, Gloves, half-mask respirator (EU), half-mask respirator (US), multi-purpose combination respirator cartridge (US)

Signal word Warning

Precautionary statements

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。
P501 Dispose of contents/container to..… 处理内容物/容器.....
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。
P370+P378
P403+P235

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；

UN Number 1987 UN 1987 3/PG 3

Hazard Codes Xi

Packing GroupIII

Hazard Class3

Storage condition 2-8°C {LY} 2-8°C Flammables area {} {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 {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°

RTECSGU3325000

Risk Statements

R10 Flammable 易燃

其他信息

MOL 文件:502-42-1.mol
{Chemi
检测方法:GC
TCI Shanghai:环庚醇 Cycloheptanol,>;96.0%(GC)(502-41-0)
可燃性危险特性:遇明火、高温、强氧化剂可燃;燃烧产生刺激烟雾
Acros Organics:Cycloheptanol, 99%(502-41-0)
图谱信息:环庚醇(502-41-0)红外图谱(IR1) 环庚醇(502-41-0)核磁图( 13 CNMR) 环庚醇(502-41-0)质谱(MS)
外观性质:无色至黄色粘稠液体，密度：0.
Hazard Note:Irritant
环庚酮价格(试剂级):更新日期产品编号产品名称包装价格 2014/06/02 C0466 环庚酮 Cycloheptanone 25ML 220元 2014/06/02 C0466 环庚酮 Cycloheptanone 500ML 2400元 2010/06/21 1110402
Alfa Aesar:环庚醇
Sigma Aldric
急性毒性:腹腔- 小鼠 LD50: 750 毫克/ 公斤
用途一:用于颠茄酮等有机物的合成
用途三:用作有机合成中间体
毒性分级:中毒
用途二:本品用于有机合成，经肟化可制环庚酮肟。
类别:易燃液体
储运特性:包装完整、轻装轻放; 库房通风、远离明火、高温、与氧化剂分开存放
化学性质:环庚酮又名软木酮，是一种具有胡椒薄荷气味的无色油状液体，环庚酮经硝酸氧化可制得庚二酸，由镍于175℃催化氢化或在沸腾乙醇中用钠还原得环庚醇，在四氯化碳中与溴反应得2，7-二溴环庚酮。实验室通常采用的制
MSDS 信息:Cycloheptanol(502-41-0).msds
Acros Organics:环庚酮 Cycloheptanone, 98%(502-42-1)
用途三:用作有机合成中间体，也用于
海关编码:29061900
TCI Shanghai:环庚酮 Cycloheptanone,>;98.0%(GC)(502-42-1)
图谱信息:环庚酮(502-42-1)核磁图( 1 HNMR) 环庚酮(502-42-1)红外图谱(IR1) 环庚酮(502-42-1)质谱(MS) 环庚酮(502-42-1)核磁图( 13 CNMR)
Alfa Aesar:环庚醇,98% Cycloheptanol, 98%(502
灭火剂:泡沫、二氧化碳、干粉、砂土、1211
环庚醇价格(试剂级):更新日期产品编号产品名称包装价格 2014/06/02 C0678 环庚醇 Cycloheptanol 25ML 425元 2014/06/02 C0678 环庚醇 Cycloheptanol 250ML 2410元 2010/05/25 A17857 环庚醇, 98% Cycloheptanol, 98% 25ml 385元
MOL 文件:502-41-0.mol
Sigma Aldrich:502-41-0(sigmaaldrich)
方法一:由环己酮与硝甲烷加成、还原、重氮化、扩环而得。工艺过程为：将甲醇、硝基甲烷、环己酮加入反应锅中搅拌，在5-10℃滴加碱液，冷至-4℃反应1h，滤出沉淀，加水溶解，用乙酸酸化至pH＝4-5，再加热溶解，静置，分取油层得硝甲基环己醇粗油；再将粗油用铁粉还原，得胺甲环己醇还原液；加入亚硝酸钠溶液，在0-8℃重氮化后，升温至25℃搅拌1.5h，再升温至85℃，然后进行水蒸气蒸馏，馏出物静置，分取油层减压蒸馏，收集60℃（1.87kPa）馏分，得环庚酮成品。