CAS 111-87-5 MFCD00002988-1-Octanol 正辛醇 TAO{mole}

1-Octanol 正辛醇

CAS 111-87-5 MFCD00002988

化学结构图

SMILES: CCCCCCCCO

化学属性

Mol. Formula	C8H18O
Mol. Weight	130.23
Density	0.827
Refractive index	1.4280 to 1.4310
Boiling Point	196 °C at 760 mmHg
Melting Point	-15 °C
Flash Point	81.11°C
TSCA	Yes
Autoignition Point	523 °F
Vapor Density	4.5 (vs air)
Vapor Pressure	0.14 mmHg ( 25 °C)
Solubility	不溶于水，溶于乙醇、乙醚、氯仿。
Stability	对湿度敏感
Appearance	liquid

别名和识别编码

Chemical Name	Capryl Alcohol
Synonym	1-Octanol {LY} 1-Octanol Alcohol, n-Octyl n Octanol n Octyl Alcohol n-Octanol n-Octyl Alcohol {} {LY} 1-Octanol {} {} {LY} 1-Octanol {} {} {} {LY} 1-Octanol {} {} {} {} {LY} 1-Octanol {} {} {} {} {} {LY} 1-Octanol {} {} {} {} {} {} {LY} 1-Octanol {} {} {} {} {} {} {} {LY} 1-Octanol {} {} {} {} {} {} {} {} {LY} 1-Octanol {} {} {} {} {} {} {} {} {} {LY} 1-Octanol {} {} {} {} {} {} {} {} {} {} {LY} 1-Octanol {} {} {} {} {} {} {} {} {} {} {} {LY} 1-Octanol {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1-Octanol {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1-Octanol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1-Octanol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1-Octanol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {PubChem} 1 Octanol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1-Octanol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {
CAS Number	111-87-5
EC Number	203-917-6
Beilstein Registry Number	1697461
MDL Number	MFCD00002988
Reaxys-RN	1697461
PubChem Substance ID	957
Merck Number	6751
Chemical Name Translation	正辛醇
Wiswesser Line Notation	Q8
LabNetwork Molecule ID	LN00162854
Canonical SMILES	OCCCCCCCC
InChI	InChI=1S/C8H18O/c1-2-3-4-5-6-7-8-9/h9H,2-8H2,1H3

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分类

{SNA} Alphabetical Listings, Bioactive Small Molecules, Cell Biology, Certified Natural Products, Flavors and Fragrances, Kosher Certified Products, O, O-P, O-Z
{SNA} Anhydrous Solvents, Aspalathus linearis (Rooibos tea), Boswellia carterii, Citrus aurantium (Seville orange), Elettaria Cardamomum (Cardamom), Fatty Acyls, Fatty Alcohols, Hypericum perforatum (St John's wort), Ocimum basilicum (Basil), Phytochemicals by Plant (Food/Spice/Herb), Solvent Bottles, Solvent Packaging Options, Solvent by Application, Solvents, Sure/Seal Bottles, Z

产品应用

溶剂, 增香剂, 消泡剂, 有机合成，代替戊醇还原酮类, 制造香料, 气相色谱分析标准。

安全信息

GHS Symbol

WGK Germany1

Hazard Codes Xi

Hazard statements

H227 Combustible liquid 可燃液体
H302 Harmful if swallowed 吞食有害
H312 Harmful in contact with skin 皮肤接触有害
H315 Causes skin irritation 会刺激皮肤
H319 Causes serious eye irritation 严重刺激眼睛
H400 Verytoxictoaquaticlife 对水生生物毒性非常大。
H410 Verytoxictoaquaticlifewithlonglastingeffects 对水生生物毒性非常大并具有长期影响。
H412 Harmfutoaquaticlifewithlonglastingeffects 对水生生物有害并具有长期影响。

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

RTECSRH6550000

Precautionary statements

P201 Obtain special instructions before use. 使用前获取专门指示。
P202 Do not handle until all safety precautions have been read and understood. 已阅读并理解所有的安全预防措施之前，切勿操作。
P203
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。
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。
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。
P264+P265
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。
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。
P273 Avoid release to the environment. 避免释放到环境中。
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。
P281 Use personal protective equipment as required. 使用所需的个人防护装备。
P301+P310
P301+P312
P301+P316
P301+P317
P302+P352
P304+P340
P305+P351+P338
P307+P311
P308+P313
P308+P316
P309+P311
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。
P317
P318
P319
P321 Specific treatment (see … on this label). 具体治疗（见本标签上的）。
P322 Specific measures (see …on this label). 具体治疗（见本标签上的）。
P330 Rinse mouth. 漱口
P331 Do NOT induce vomiting.. 不要催吐。
P332+P313
P332+P317
P337+P313
P337+P317
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
P362+P364
P363 Wash contaminated clothing before reuse. 被污染的衣服洗净后方可重新使用。
P370+P378
P391 Collect spillage. Hazardous to the aquatic environment 收集对水环境有危害的泄漏物。
P403 Store in a well-ventilated place. 储存在通风良好的地方。
P403+P233
P403+P235
P405 Store locked up. 上锁保管。
P501 Dispose of contents/container to..… 处理内容物/容器.....

Signal word Warning

Safety Statements

S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触；
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；
S36/37 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套；

Risk Statements

R36 Irritating to eyes 刺激眼睛
R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
R36/38 Irritating to eyes and skin 对眼睛和皮肤有刺激性

Packing GroupIII

Hazard Class9

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 {} {} {} {}

UN Number 3082

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : >3200 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   FCTXAV Food and Cosmetics Toxicology.  (London, UK)  V.1-19, 1963-81.  For
   publisher information, see FCTOD7.  Volume(issue)/page/year: 11,95,1973

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Parenteral
SPECIES OBSERVED        : Amphibian - frog
DOSE/DURATION           : 1240 mg/kg
TOXIC EFFECTS :
   Peripheral Nerve and Sensation - spastic paralysis with or without sensory
   change
   Behavioral - somnolence (general depressed activity)
REFERENCE :
   AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. (Heymans
   Institute of Pharmacology, De Pintelaan 185, B-9000 Ghent, Belgium)  V.4-   
   1898-  Volume(issue)/page/year: 50,296,1935

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 69 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. (Heymans
   Institute of Pharmacology, De Pintelaan 185, B-9000 Ghent, Belgium)  V.4-   
   1898-  Volume(issue)/page/year: 135,330,1962

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 1790 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   HYSAAV Hygiene and Sanitation (USSR).  English translation of GISAAA.
   (Springfield, VA)  1964-71.

TYPE OF TEST            : LCLo - Lowest published lethal concen

TYPE OF TEST            : Sex chromosome loss and nondisjunction
TEST SYSTEM             : Rodent - hamster Lung
DOSE/DURATION           : 800 umol/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

下游产品:辛酸 --> 异辛酸 --> 丙烯酸酯三元共聚物负载双硫铂配合物催化剂 --> 渗透剂 --> 邻苯二甲酸二(2-乙基己)酯 --> 邻苯二甲酸二丁酯 --> 多库脂钠 --> 涤纶高速纺丝油剂 --> 1-溴辛烷 --> 磷酸三苯酯 --> 酞酸二乙酯 --> 二(2-乙基己基)磷酸酯 --> 邻苯二甲酸二正辛酯(DNOP) --> 桃醛 --> 柴油重油添加剂A型 --> 氰乙酸正辛酯 --> 正-午基醚 --> 十四醛三聚物 --> 丙烯酸 2-乙基己酯 --> 石油添加剂 --> 癸二酸二异辛酯 --> 对苯二甲酸二辛酯 --> 癸二酸二辛酯 --> 马来酸二辛酯 --> 三辛胺
用途二:可用作香料、辛醛、辛酸及其酯的原料，也可用作溶剂、消泡剂和润滑油添加剂
毒性分级:中毒
Alfa Aes
灭火剂:泡沫、二氧化碳、雾状水、砂土
MSDS 信息:正辛醇(111-87-5).msds
方法一:辛醇在苦橙、柚、甜橙、绿茶、紫罗兰叶等精油中或以游离态存在，或以乙酸酯、丁酸酯、异戊酸酯类存在。工业生产时，可将辛醛还原或利用椰子油中存在的辛酸来制备。也可采用庚烯-1为原料的羰基合成法制得。庚烯与一氧化碳和氢在钴盐存在下，于150-170℃及20-30MPa的高压下生成醛，经脱钴后，再用镍催化剂加压氢化成伯醇。在国外该法已有成熟的生产工艺。
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）正辛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
职业标准:STEL 10 毫克/ 立方米
有特殊芳香气味。能与乙醇、氯仿和乙醚混，不溶于水。易燃。半数致死量(小鼠，经口)1790mg/k
用途五:
有特殊芳香气味。能与乙醇、氯仿和乙醚混，不溶于水。易燃。半数致死量(
海关编码:29051680
上游原料:氢 --> 丙烯 --> 辛酸 --> 椰子油 --> 2-氨基-3-氯苯甲酸 --> 正辛醛 --> 1-庚烯 --> 紫罗兰 --> 绿
刺激数据:皮肤- 兔子 500 毫克/ 24小时轻度
可燃性危险特
用途三:可适量用于玫瑰、茉莉、紫丁香、甜豆花、蜜香、橙花、柑橘、防风根、古龙、松针等型中。与玫瑰、依兰、防风根、橙油、芳樟醇能协调和合。还可微量用于食用的桃子、凤梨、椰子、巧克力、各种柑橘及果香基香精中。
用途四:主要用于生产增塑剂、萃取剂、稳定剂，用作溶剂和香料的中间体。在增塑剂领域，辛醇一般是指2-乙基乙醇，这是百万吨级的大宗原料，在工业上远比正辛醇更有价值。辛醇本身也用作香料，调合玫瑰，百合等花香香精，作为皂用香料。该品是我国GB2760-86规定为允许使用的食用香料。主要用以配制椰子、菠萝、桃子、巧克力和柑桔类香精。
外观性质:无色液体, 有刺激性气味。
用途一:用于香料的制备，也用作溶剂及防沫剂等
图谱信息:正辛醇(111-87-5)红外图谱(IR1) 正辛醇(111-87-5)核磁图( 13 CNMR) 正辛醇(111-87-5)Raman光谱正辛醇(111-87-5)质谱(MS) 正辛醇(111-87-5)红外图谱(IR2) 正辛醇(111-87-5)核磁图( 1 HNMR)
类别:易燃液体
储运特性
Sigma Aldrich:111-87-5(sigmaaldrich)
正辛醇价格(试剂级):更新日期产品编号产品名称包装价格 2011/08/23 30137618 1-辛醇;正辛醇; 亚羊脂醇; 伯辛醇 500ml 33元 2011/08/23 30137628 1-辛醇;正辛醇; 亚羊脂醇; 伯辛醇 500ml 31元 2011/08/23 40037761 1-辛醇;正辛醇;