1,3-Butanediol 1,3-丁二醇

CAS 107-88-0 MFCD00004554

化学结构图

107-88-0
SMILES: CC(O)CCO

化学属性

Mol. FormulaC4H10O2
Mol. Weight90.12
Density1.005
Refractive index1.4390 to 1.4410
Boiling Point203-204 °C at 760 mmHg
Flash Point122°C(lit.)
TSCAYes
Melting Point-54 °C
Solubility微溶于乙醚,易溶于水,易溶于乙醇。
Vapor Density3.1 (20 °C, vs air)
Vapor Pressure0.06 mmHg ( 20 °C)
Autoignition Point741 °F
Stability易吸潮

别名和识别编码

Chemical Name1,3-Butanediol
Synonym 1,3-Butanediol {LY} 1,3-Butanediol 1,3-butanediol 1,3-butylene glycol 1,3-butylene glycol, (14)C-labeled 1,3-butylene glycol, (DL)-isomer 1,3-butylene glycol, (R)-isomer 1,3-butylene glycol, (S)-isomer butylene glycol {} {LY} 1,3-Butanediol {} {} {LY} 1,3-Butanediol {} {} {} {LY} 1,3-Butanediol {} {} {} {} {LY} 1,3-Butanediol {} {} {} {} {} {LY} 1,3-Butanediol {} {} {} {} {} {} {LY} 1,3-Butanediol {} {} {} {} {} {} {} {LY} 1,3-Butanediol {} {} {} {} {} {} {} {} {LY} 1,3-Butanediol {} {} {} {} {} {} {} {} {} {LY} 1,3-Butanediol {} {} {} {} {} {} {} {} {} {} {LY} 1,3-Butanediol {} {} {} {} {} {} {} {} {} {} {} {LY} 1,3-Butanediol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1,3-Butanediol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1,3-Butanediol {} {} {} {} {} {} {} {} {} {} {} {
CAS Number107-88-0
EC Number203-529-7
Beilstein Registry Number1718945
MDL NumberMFCD00004554
Reaxys-RN1718945
Merck Number1567
PubChem Substance ID7896
Chemical Name Translation1,3-丁二醇
Wiswesser Line NotationQY1&2Q
LabNetwork Molecule IDLN00163083
InChIInChI=1S/C4H10O2/c1-4(6)2-3-5/h4-6H,2-3H2,1H3
Canonical SMILESCC(O)CCO
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分类

  • Building Blocks, Chemical Synthesis, Organic Building Blocks, Oxygen Compounds, Polyols
  • {SNA} A-F, Alphabetical Index of Analytical Standards, Analytical Standards,
  • {SNA} Anhydrous Solvents, Solvent Bottles, Solvent Packaging Options, Solvent by Application, Solvents, Sure/Seal Bottles
  • {SNA} A-F, All Alphabetically Sorted, Alphabetical Index of Analytical Standards, Analytical Standards, Analytical/Chromatography, B, BI - BZ, Chromatography, Flavors and Fragrances, Food & Beverage Standards, Substance Classification, other
  • {Chemicalbook} 食品添加剂: 食品加工助剂: 溶剂和助溶剂
  • {SNA} A-F,

产品应用

  • 1,3-丁二醇具有二元醇的反应性、无臭、低毒、水溶性好等特点,主要用于有机合成,是聚酯树酯、醇酸树脂的原料,增塑剂的原料,聚氨酯涂料的原料,湿润剂和柔软剂,医药、染料的中间体。

相关文献及参考

  • [2]. R B Tobin,et al. Nutritional and metabolic studies in humans with 1,3-butanediol. Fed Proc. 1975 Nov;34(12):2171-6.
  • Merck:14,1567
  • Merck:14,1567 Beilstein: 1,IV,2508
  • Short: II/19b
  • Short: II/27B
  • [1]. C Marie, et al. Protective action of 1,3-butanediol in cerebral ischemia. A neurologic, histologic, and metabolic study. J Cereb Blood Flow Metab. 1987 Dec;7(6):794-800.
  • [1]. C Marie, et al. Protective action of 1,3-butanediol in cerebral ischemia. A neurologic, histologic, and metabolic study. J Cereb Blood Flow Metab. 1987 Dec;7(6):794-800.
  • [2]. R B Tobin,et al. Nutritional and metabolic studies in humans with 1,3-butanediol. Fed Proc. 1975 Nov;34(12):2171-6.

安全信息

WGK Germany1
Personal Protective Equipment Eyeshields, Gloves, half-mask respirator (US), multi-purpose combination respirator cartridge (US) Eyeshields, Gloves
RTECSEK0440000
Signal word Warning
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。
  • 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。
  • 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。
  • P303+P361+P353
  • P305+P351+P338
  • P305+P351+P338+P337+P313
  • P337+P313
  • P370+P378
  • P403+P235
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Hazard statements
  • H226 Flammable liquid and vapour 易燃液体和蒸气
  • H319 Causes serious eye irritation 严重刺激眼睛
Storage condition 2-8°C {LY} 2-8°C Hygroscopic Store at room temperature {} {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-
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 Wear suitable protective clothing 穿戴适当的防护服;
GHS Symbol
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
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 18610 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   JIHTAB Journal of Industrial Hygiene and Toxicology.  (Cambridge, MA)
   V.18-31, 1936-49.  For publisher information, see AEHLAU.
   Volume(issue)/page/year: 23,259,1941

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 12980 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   JAPMA8 Journal of the American Pharmaceutical Association, Scientific
   Edition.  (Washington, DC) V.29-49, 1940-60.  For publisher information, see
   JPMSAE.  Volume(issue)/page/year: 45,669,1956

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 20 gm/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   NPIRI* Raw Material Data Handbook, Vol.1: Organic Solvents, 1974. (National
   Assoc. of Printing Ink Research Institute, Francis McDonald Sinclair
   Memorial Laboratory, Lehig

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - guinea pig
DOSE/DURATION           : 11 gm/kg
TOXIC EFFECTS :
   Behavioral - somnolence (general depressed activity)
   Gastrointestinal - other changes
   Kidney, Ureter, Bladder - other changes
REFERENCE :
   JIHTAB Journal of Industrial Hygiene and Toxicology.  (Cambridge, MA)
   V.18-31, 1936-49.  For publisher information, see AEHLAU.
   Volume(issue)/page/year: 23,259,1941

TYPE OF TEST

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 42360 mg/kg
SEX/DURATION            : female 6-15 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Effects on Newborn - growth statistics (e.g.%, reduced weight
   gain)
REFERENCE :
   JACTDZ Journal of the American College of Toxicology.  (Mary Ann Liebert,
   Inc., 1651 Third Ave., New York, NY 10128)  V.1-12, 1982-1993. Discontinued.
    Volume(issue)/page/year: 5(4),189,1986

其他信息

  • 用途五:1,3-丁二醇具有二元醇的反应性、无臭、低毒、水溶性好等特
  • Alfa Aesar:(±)-1,3-丁二醇,99% (+/-)-1,3-Butanediol, 99%(107-88-0)
  • 海关编码:29053920
  • 毒性分级:低毒
  • 性质描述:无色粘稠液体。粘度(25℃)103.9mPa·s,折射率1.4401,表面张力(25℃)37.8mN、m,闪点121℃。溶于水、丙酮、甲基·乙基(甲)酮、乙醇、邻苯二甲酸二丁酯、蓖麻油,几乎不溶于脂肪族烃、苯、甲苯、四氯化碳、乙醇胺类、矿物油、亚麻子油。热时能溶解尼龙,也能部分溶解虫胶和松脂。因沸点较高,常压下蒸馏时易受空气氧化,故宜在减压下蒸馏。无臭,略有苦甜味。吸湿性强,可吸收相当于本身重量12.5%的水分(相对湿度为50%时),甚至38.5%的水分(相对湿度为80%时)。
  • 用途二:载体溶剂(主要用于咖喱);香料。
  • TCI Shanghai:1,3-丁二醇 1,3-Butanedi
  • 用途四:1,3-丁二醇(107-88-0)主要用于制备聚酯树脂、聚氨基甲酸酯树脂、增塑剂等, 也用作纺织品、纸张和烟草的增湿剂和软化剂等。
  • 爆炸物危险特性:与空气混合可爆
  • 类别:易燃液体
  • 1,3-丁二醇价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/08/23 30029082 1,3-丁二醇;1,3-二羟基丁烷 500g 80元 2011/04/16 B0679 1,3-丁二醇 1,3-Butanediol 25G 117元 2011/04/
  • 毒性:ADl 0~4mg/kg(FAO/WHO,2001)。 GRAS(FDA,§184.1278,§173.220,GMP为限,2000)。 LD 50 23g/kg(大鼠,经口)。
  • 含量分析:准确称取试样约0.2g,然后按羟值型害挚(OT-26)测定。其含量按下式计算(式中否符号含义见OT-26):
  • 蒸气密度:3.1 (20 °C, vs air)
  • F:3
  • 参考质量标准:FAO/WHO。1992 含量 ≥99%(W/W) 馏程 200~215℃ 含水量(GT-32-1) ≤0.5%(W/W) 砷(GT-3) ≤3mg/kg 重金属(GT-16-2;试样2g) 10mg/kg 呈色(GT-11-1) 不大于10号标准宦
  • 外观性质:无色、粘稠液体。
  • 图谱信息:1,3-丁二醇(107-88-0)核磁图( 1 HNMR) 1,3-丁二醇(107-88-0)核磁图( 13 CNMR) 1,3-丁二醇(107-88-0)Raman光谱 1,3-丁二醇(107-88-0)质谱(MS) 1,3-丁二醇(107-88-0)红外图谱(IR1)
  • 用途三:1,3-丁二醇具有二元醇的反应性、无臭、低毒、水溶性好等特点,可用于以下主要方面:1.用作聚酯树酯、醇酸树脂的原料 用1,3-丁二醇或乙二醇混用制得的不饱和聚酯,有良好的耐水性、柔软性和耐冲击性。2.用作增塑剂的原料 由1,3-丁二醇和二元酸(己二酸)制得的聚酯系增塑剂,具有低挥发性、耐迁移性、耐肥皂水、耐溶剂和耐油性。3.用作聚氨酯涂料的原料 作为聚氨酯涂料用饱和聚酯的原料,所得产品在未道涂漆中可得到良好的耐水性,比使用其他二元醇的效果更好。4.用作湿润剂和柔软剂 1,3-丁二醇有优异的保湿性和低毒性,制成酯后,可用作香烟,赛璐珞、维尼纶薄膜、纸和纤维等的湿润和柔软剂。5.用作精细化学品的溶剂可用于
  • 敏感性:Hygroscopic
  • 方法一:由乙醛在碱水中进行醇醛缩合成3-美基丁醛,再加氢还原而得。 由丙烯与甲醛在硫酸存在下缩合而成。
  • 刺激数据:皮肤- 兔子 500 毫克/ 24小时 轻度; 眼睛 -兔子 500 毫克/ 24小时 轻度
  • 可燃性危险特性:易燃; 燃烧产生刺激烟雾
  • MOL 文件:107-88-0.mol

系列性分类