CAS 111-29-5 MFCD00002978-1,5-Pentanediol 1,5-戊二醇 TAO{mole}

1,5-Pentanediol 1,5-戊二醇

CAS 111-29-5 MFCD00002978

化学结构图

SMILES: OCCCCCO

化学属性

Mol. Formula	C5H12O2
Mol. Weight	104.15
Refractive index	1.4500 to 1.4520
Boiling Point	239°C at 760 mmHg
Density	0.994
Flash Point	136°C
TSCA	Yes
Melting Point	-18°C
Autoignition Point	635 °F
Vapor Pressure	<;0.01 mmHg ( 20 °C)
Solubility	与水混溶，可混溶于甲醇、乙醇、丙酮。
Stability	对湿度敏感

别名和识别编码

Chemical Name	1,5-Pentanediol
Synonym	1,5-Dihydroxypentane {LY} 1,5-Dihydroxypentane {} {LY} 1,5-Dihydroxypentane {} {} {LY} 1,5-Dihydroxypentane {} {} {} {LY} 1,5-Dihydroxypentane {} {} {} {} {LY} 1,5-Dihydroxypentane {} {} {} {} {} {LY} 1,5-Dihydroxypentane {} {} {} {} {} {} {LY} 1,5-Dihydroxypentane {} {} {} {} {} {} {} {LY} 1,5-Dihydroxypentane {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1,5-Dihydroxypentane {} {} {} {} {} {} {} {} {} {LY} 1,5-Dihydroxypentane {} {} {} {} {} {} {} {} {} {} {LY} 1,5-Dihydroxypentane {} {} {} {} {} {} {} {} {} {} {} {LY} 1,5-Dihydroxypentane {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1,5-Dihydroxypentane {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1,5-Dihydroxypentane {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1,5-Dihydroxypentane {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1,5-Dihydroxypentane
CAS Number	111-29-5
PubChem Substance ID	8105
EC Number	203-854-4
Beilstein Registry Number	1560130
MDL Number	MFCD00002978
Reaxys-RN	1560130
Merck Number	7117
Chemical Name Translation	1,5-戊二醇
Wiswesser Line Notation	Q5Q
LabNetwork Molecule ID	LN00195399
InChI	InChI=1S/C5H12O2/c6-4-2-1-3-5-7/h6-7H,1-5H2
Canonical SMILES	OCCCCCO

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产品应用

用作化学溶剂。在聚氨酯中可用作合成特殊聚酯及用作扩链剂。

安全信息

WGK Germany3

Personal Protective Equipment Eyeshields, Gloves

RTECSSA0480000

Signal word Warning

GHS Symbol

Safety Statements

S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触；

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
R22 Harmful if swallowed 吞咽有害

Precautionary statements

P262 Do not get in eyes, on skin, or on clothing. 不要接触眼睛，皮肤或衣服。
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。
P301+P312+P330
P332+P313
P501 Dispose of contents/container to..… 处理内容物/容器.....

Hazard statements

H302 Harmful if swallowed 吞食有害

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 {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 2 gm/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   JAFCAU Journal of Agricultural and Food Chemistry.  (American Chemical Soc.,
   Distribution Office Dept. 223, POB 57136, West End Stn., Washington, DC
   20037)  V.1-    1953-  Volume(issue)/page/year: 23,418,1975

TYPE OF TEST            : LD50 - Lethal dose, 50 pe

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - guinea pig
DOSE/DURATION           : 4600 mg/kg
TOXIC EFFECTS :
   Behavioral - somnolence (general depressed activity)
   Behavioral - excitement
   Behavioral - muscle weakness
REFERENCE :
   GISAAA Gigiena i Sanitariya.  For English translation, see HYSAAV.  (V/O
   Mezhdunarodnaya Kniga, 113095 Moscow, USSR)  V.1-    1936-
   Volume(issue)/page/year: 38(9),14,1973

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 2250 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   TXAPA9 Toxicology and Applied Pharmacology.  (Academic Press, Inc., 1 E.
   First St., Duluth, MN 55802) V.1-    1959-  Volume(issue)/page/year:
   49,385,1979

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Administration onto the skin
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : >20 mL/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   UCDS** Union Carbide Data Sheet.  (Union Carbide Corp., 39 Old Ridgebury
   Rd., Danbury, CT 06817)  Volume(issue)/page/ye

其他信息

Alfa Aesar:1,5-戊二醇,97% 1,5-Pentanediol, 97%(111-29-5)
毒性分级:中毒
TCI Shanghai:1,5-戊二醇 1,5-Pentanediol,>;97.0%(GC)(111-29-5)
Sigma Aldrich:111-29-5(sigmaaldrich)
海关编码:29053980
灭火剂:泡沫、干粉、二氧化碳、砂土
急性毒性:口服- 大鼠 LD50: 2000 毫克/ 公斤; 口服- 小鼠 LD50: 6300 毫克/ 公斤
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
MOL 文件:111-29-5.mol
类别:易燃液体
敏感性:Hygroscopic
Acros Organics:1,5-戊二醇 1,5-Pentanediol, 98%(111-29-5)
刺激数据:皮肤- 兔子 495 毫克轻度
储运特性:库房通风低温干燥
蒸气压:<;0.01 mm Hg ( 20 °C)
方法一:1.以四氢糠醛为原料，经催化加氢而得。加氢操作在高温高压下进行，反应温度300-310℃，压力为22-42MPa，工业化有一定因难可先将四氢糠醇制成二氢吡喃，再由二氢吡喃水合制5-羟基戊醛，然后经催化加氢而得到1,5-戊二醇。将二氢吡喃、水及少量盐酸加入水合釜内，于50℃反应30-40min，用氢氧化钠溶液中和反应液后进行蒸馏，先脱除水分，再收集60-64℃（0.4kPa）馏分得到5-羟基戊醛，将其加入高压釜，在镍催化剂作用下，于120-150℃、约6兆帕压力下加氢，反应结束后，减压蒸馏，收集119-120℃（0.4kPa）馏分，即为成品。2.由环戊二烯光氧化而得环氧戊烯醛，再于70-100℃、约7MPa压力催化加氢而得。
用途一:用作有机合成中间体，用于制造聚酯、聚醚和香料等。
是一种含奇数碳原子二伯羟化合物基团，有苦味,和水混溶。
图谱信息:1,5-戊二醇(111-29-5)核磁图( 1 HNMR) 1,5-戊二醇(111-29-5)核磁图( 13 CNMR) 1,5-戊二醇(111-29-5)Raman光谱 1,5-戊二醇(111-29-5)质谱(MS) 1,5-戊二醇(111-29-5)红外图谱(IR1)
上游原料:茂 --> 四氢糠醇 --> 二氢吡喃 --> 5-羟基戊醛
下游产品:苯磺酸阿曲库铵
外观性质:无色、无味、粘稠液体。
用途二:用作化学溶剂。在聚氨酯中可用作合成特殊聚酯及用作扩链剂。
1,5-戊二醇价格(试剂级):更新日期产品编号产品名称包装价格 2011/08/23 K7689201 1.5-戊二醇purum≈97％ 250ml 375元 2011/04/16 P0050 1,5-戊二醇 1,5-Pentanediol 25G 124元 2011/04/16 P0050 1,5-戊二醇 1,5-Pentanediol 500G 545元
MSDS 信息:1,5-戊二醇(111-29-5).msds