CAS 111-70-6 MFCD00002986-1-Heptanol 正庚醇 TAO{mole}

1-Heptanol 正庚醇

CAS 111-70-6 MFCD00002986

化学结构图

SMILES: CCCCCCCO

化学属性

Mol. Formula	C7H16O
Mol. Weight	116.20
Refractive index	1.4230 to 1.4250
Boiling Point	176 °C at 760 mmHg
Density	0.822
Melting Point	-36 °C
Flash Point	71°C(lit.)
TSCA	Yes
Autoignition Point	662 °F
Vapor Pressure	0.5 mmHg ( 20 °C)
Solubility	微溶于水，溶于乙醇、乙醚。
pH	:A

别名和识别编码

Chemical Name	1-Heptanol
Synonym	1-Heptanol {LY} 1-Heptanol {} {LY} 1-Heptanol {} {} {LY} 1-Heptanol {} {} {} {LY} 1-Heptanol {} {} {} {} {LY} 1-Heptanol {} {} {} {} {} {LY} 1-Heptanol {} {} {} {} {} {} {LY} 1-Heptanol {} {} {} {} {} {} {} {LY} 1-Heptanol {} {} {} {} {} {} {} {} {LY} 1-Heptanol {} {} {} {} {} {} {} {} {} {LY} 1-Heptanol {} {} {} {} {} {} {} {} {} {} {LY} 1-Heptanol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1-Heptanol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1-Heptanol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1-Heptanol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1-Heptanol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1-Heptanol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1-Heptanol {} {} {} {} {} {} {} {} {} {} {
CAS Number	111-70-6
PubChem Substance ID	87570490
EC Number	203-897-9
Beilstein Registry Number	1731686
MDL Number	MFCD00002986
Reaxys-RN	1731686
Merck Number	4661
Chemical Name Translation	正庚醇
Wiswesser Line Notation	Q7
LabNetwork Molecule ID	LN00199656
Canonical SMILES	CCCCCCCO

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品牌质保精细包装现货库存一流品牌服务

产品应用

有机合成中间体。溶剂。香料。

安全信息

GHS Symbol

WGK Germany3

Hazard statements

H319 Causes serious eye irritation 严重刺激眼睛
H302+H312
H227 Combustible liquid 可燃液体

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

Hazard Codes Xn Xi

RTECSMK0350000

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。
P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
P271 Use only outdoors or in a well-ventilated area.? 只能在室外或通风良好的地方使用。
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+P330
P302+P350
P302+P352+P312+P362+P364
P305+P351+P338
P332+P313
P337+P313
P501 Dispose of contents/container to..… 处理内容物/容器.....

Signal word Warning

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；
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；
S36 Wear suitable protective clothing 穿戴适当的防护服；
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；
S60 This material and its container must be disposed of as hazardous waste 该物质及其容器必须作为危险废物处置；
S9 Keep container in a well-ventilated place 保持容器在通风良好的场所；

Risk Statements

R20/21/22 Harmful by inhalation, in contact with skin and if swallowed 吸入、皮肤接触和不慎吞咽有害
R36/37 Irritating to eyes and respiratory system 对眼睛和呼吸系统有刺激性

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 temperature {} {} {} {}

Packing GroupIII

Hazard Class6.1(b)

UN Number 2810

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Unreported
SPECIES OBSERVED        : Mammal - species unspecified
DOSE/DURATION           : 4350 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   GISAAA Gigiena i Sanitariya.  For English translation, see HYSAAV.  (V/O
   Mezhdunarodnaya Kniga, 113095 Moscow, USSR)  V.1-    1936-
   Volume(issue)/page/year: 51(5),61,1986

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Administration onto the skin
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : 2 gm/kg
TOXIC EFFECTS :
   Lungs, Thorax, or Respiration - acute pulmonary edema
REFERENCE :
   AMPMAR Archives des Maladies Professionnelles de Medecine du Travail et de
   Securite Sociale.  (SPPIF, B.P.22, F-41353 Vineuil, France)  V.7-    1946-
   Volume(issue)/page/year: 35,501,1974

TYPE OF TEST            : LC50 - Lethal concentration, 50 percent kill
ROUTE OF EXPOSURE       : Inhalation
SPECIES OBSERVED        : Mammal - species unspecified
DOSE/DURATION           : 6600 mg/m3
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   GISAAA Gigiena i Sanitariya.  For English translation, see HYSAAV.  (V/O
   Mezhdunarodnaya Kniga, 113095 Moscow, USSR)  V.1-    1936-
   Volume(issue)/page/year: 51(5),61,1986

TYPE OF TEST            : LC50 - Lethal concentration, 50 percent kill
ROUTE OF EXPOSURE       : Inhalation
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 6600 mg/m3/2H
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   85GMAT "Toxicometric Parameters of Industrial Toxic Chemicals Under Single
   Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects,
   GKNT, 1982  Volume(issue)/page/year: -,72

TYPE OF TEST            : Sex chromosome loss and nondisjunction
TEST SYSTEM             : Rodent - hamster Lung
DOSE/DURATION           : 2 mmol/L
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 182,135,1987

其他信息

Alfa Aesar:1-庚醇,99% 1-Heptanol, 99%(111-70-6)
MSDS 信息:正庚醇(111-70-6).msds
毒性分级:中毒
用途三:可微量用于香石竹、茉莉、辛香型、东方香型、防风根型及柑橘香型中。也可用于椰子和果香复方等的食用香精中。
TCI Shanghai:1-庚醇 1-Heptanol,>;98.0%(GC)(111-70-6)
使用
下游产品:调聚酸钾盐 --> 1-碘庚烷 --> 尼泊金庚酯 --> 异丁酸庚酯 --> 辛酸庚酯 --> 甲酸庚酯 --> 5-甲基-3-庚酮 --> 丁酸庚酯
外观性质:无色透明的液体, 有芳香气味。
上游原料:正戊烷 --> 铁屑 --> 庚醛
职业标准:STEL 10 毫克/ 立方米
参考质量标准:FCC，1996；FAO/WHO，1997 含量 ≥97.0% 相对密度(d 25 25 ) 0.820~0.824 酸值(OT-4) ≤1.0 含醛量(以庚醛计) ≤1.0% 折射率( D 20 ) 1.423～1.427 醇中溶解度 lml溶于2mL60%乙醇
FEMA:2548
类别:易燃液体
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）正庚醇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
含量分析:按总醇量测定法(OT-5)分析。所取试样量为1g。计算中的当量因子(e)取58.10。或按GT-10-4气相色谱法中用非极性柱测定。
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
海关编码:29051900
正庚醇价格(试剂级):更新日期产品编号产品名称包装价格 2011/08/23 40027062 正庚醇 2ml 38元 2011/08/23 30097281 正庚
{C
毒性:GRAS(FEMA)。 LD 50
MOL 文件:111-70-6.mol
毒性:GRAS(FEMA)。 LD 50 500mg/kg(
图谱信息:正庚醇(111-70-6)红外图谱(I
储运特性:库房通风低温干燥
用途二:用于有机合成
急性毒性:口服- 大鼠 LD50: 500 毫克/ 公斤; 口服- 小鼠 LD50: 1500 毫克/ 公斤
正庚醇价格(试剂级):更新日期产品编号产品名称包装价格 2011/08/23 40027062 正庚醇 2ml 38元 2011/08/23 30097281
用途七:有机合成中间体。溶剂。香料。
灭火剂:泡沫、二氧化碳、干粉、砂土、1211
方法二:由正庚醛还原而得。将1.8kg铁屑、3L水和0.45kg庚醛一起搅拌，加热回流6-7h，然后进行水蒸汽蒸馏，约得馏出物7-8L，分出油层，加入1L20%的氢氧庚酯水解。分现油层进行蒸馏，收集172-176℃馏分，可得约350g庚醇。还原反应也可在稀盐酸存在下进行。另外，戊烷与环氧乙烷在无水溴化铝存在下反应，也可制得庚醇。
用途五:用作溶剂，用于香料制备和有机合成。
用途一:用作溶剂，也用于香料制备及有机合成
图谱信息:正庚醇(111-70-6)红外图谱(IR2) 正庚醇(111-70-6)红外图谱(IR1) 正庚醇(111-70-6)Raman光谱正庚醇(111-70-6)核磁图( 13 CNMR) 正庚醇(111-70-6)质谱(MS)