β-Butyrolactone β-丁内酯

CAS 3068-88-0 MFCD00005170

化学结构图

3068-88-0
SMILES: CC1CC(=O)O1

化学属性

Mol. FormulaC4H6O2
Mol. Weight86.09
Refractive index1.4100 to 1.4120
Boiling Point71-73 °C at 29 mmHg
Density1.056 g/mL at 25 °C(lit.)
Melting Point-43.5 °C
Flash Point60°C(lit.)

别名和识别编码

Chemical Nameβ-Butyrolactone
Synonym beta-Butyrolactone {LY} beta-Butyrolactone {} {LY} beta-Butyrolactone {} {} {LY} beta-Butyrolactone {} {} {} {LY} beta-Butyrolactone {} {} {} {} {} {} {} {} {LY} beta-Butyrolactone {} {} {} {} {} {LY} beta-Butyrolactone {} {} {} {} {} {} {LY} beta-Butyrolactone {} {} {} {} {} {} {} {LY} beta-Butyrolactone {} {} {} {} {} {} {} {} {LY} beta-Butyrolactone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} beta-Butyrolactone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} beta-Butyrolactone {} {} {} {} {} {} {} {} {} {} {} {LY} beta-Butyrolactone {} {} {} {} {} {} {} {} {} {} {} {} {LY} beta-Butyrolactone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} beta-Butyrolactone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} beta-Butyrolactone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} beta-Butyrolactone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
CAS Number3068-88-0
PubChem Substance ID87563870
EC Number221-330-3
MDL NumberMFCD00005170
Reaxys-RN105214
Beilstein Registry Number17(1)130
Chemical Name Translationβ-丁内酯
Wiswesser Line NotationT4OVTJ D1
LabNetwork Molecule IDLN00192884
InChIInChI=1S/C4H6O2/c1-3-2-4(5)6-3/h3H,2H2,1H3
Canonical SMILESO=C1OC(C)C1
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分类

  • Asymmetric Synthesis, Building Blocks, Carbonyl Compounds, Chemical Synthesis, Chiral Building Blocks, Heterocyclic Building Bl
  • {SNA} Asymmetric Synthesis, Building Blocks, Carbonyl Compounds, Chemical Synthesis, Chiral Building Blocks, Heterocyclic Building Blocks, Lactones, Organic Building Blocks, Oxetanes
  • {SNA} A-F, A-L, Analytical Standards, Flavor and Fragrance Standards, Food & Beverage Standards, Food and Cosmetic Component Standards, 分析/色谱, 按字母排序, 香精香料
  • {SNA} A-F, All Alphabetically Sorted,
  • {SNA} A-F,

相关文献及参考

  • Beil. 17 ,V,9,15
  • Fieser 16 ,222
  • Aldrich MSDS 1 , 336:D / Corp MSDS 1 (1), 656:B / FT-IR 1 (1), 697:A / FT-IR 2 (1), 1172:A / FT-NMR 1 (1), 1124:B / NMR-Reference 2 (1), 589:D / RegBook 1 (1), 803:B / Structure Index 1 , 125:A:5 / Vapor Phase 3 , 748:A
  • Short: II/14a Title: Molecular Constants: Diamagnetic Molecules Author: Demaison, J.; Dubrulle, A.; Hüttner, W.; Tiemann, E. Editor: Hellwege, K.-H.; Hellwege, A.M. Source: Landolt-Börnstein, New Series Volume: II/14a Page: 1-788 Year: 1982 Keyword: organic compounds; molecular constants; spectroscopy; microwave spectroscopy ISBN: 3-540-11365-7 ISBN: 978-3-540-11365-2 Internet Resource: DOI:10.1007/b19966 RefComment: 196 figs., XI
  • Short: II/24B Title: Molecular Constants mostly from Microwave, Molecular Beam, and Sub-Doppler Laser Spectroscopy: Rotational, Centrifugal Distortion and Related Constants of Diamagnetic Asymmetric Top Molecules Author: Demaison, J.; Vogt, J.; Wlodarczak, G. Editor: Hüttner, W. Source: Landolt-Börnstein, New Series Volume: II/24B Year: 2000 Keyword: Diamagnetics Diatomics; Linear Symmetric Rotors; Molecular Constants; Molecules ISBN: 3-540-65345-7 ISBN: 978-3-540-65345-5 Internet Resource: DOI:10.1007/b58835 RefComment: VIII, 525 pages. Hardcover Abstract: Volume II/24 presents the spectroscopic data on diamagnetic and paramagnetic molecules as well as on molecular ions and radicals up to date considering the publications up to and partly including 1997. The spectroscopic information collected in this volume has been obtained principally from gas phase microwave measurements. Volume II/24 is a supplement to volumes II/4, II/6, II/14, and II/19 and is planned to appear in five subvolumes, the last of which will contain the substance index taking into account all molecules worked at since 1967 in the volumes mentioned and will provide cross references to and between all tables

安全信息

GHS Symbol
WGK Germany3
Hazard Codes Xn
Hazard statements
  • H226 Flammable liquid and vapour 易燃液体和蒸气
  • H315 Causes skin irritation 会刺激皮肤
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H351 Suspected of causing cancer 怀疑致癌
Personal Protective Equipment Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
RTECSRQ8050000
Precautionary statements
  • 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
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
  • 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。
  • P332+P313
  • P308+P313
  • P302+P352+P332+P313+P362+P364
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P303+P361+P353
  • P201 Obtain special instructions before use. 使用前获取专门指示。
  • P240 Ground/bond container and receiving equipment. 与地面接触/连接集装箱和接受设备。
  • P370+P378
  • P305+P351+P338
  • P281 Use personal protective equipment as required. 使用所需的个人防护装备。
  • P241 Use explosion-proof electrical/ventilating/lighting/…/equipment. 使用防爆电气/通风/照明/ .../设备。
  • 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。
  • P403+P235
  • 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。
  • P241+P242+P243
  • P405 Store locked up. 上锁保管。
  • P233 Keep container tightly closed. ?保持容器密闭。
Signal word Warning {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {TCI}
UN Number 1993 UN 1993 3/PG 3
Packing GroupIII
Hazard Class3
Safety Statements
  • 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;
Risk Statements
  • R36/38 Irritating to eyes and skin 对眼睛和皮肤有刺激性
  • R40 Limited evidence of a carcinogenic effect 有限证据表明其致癌作用
TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 12 gm/kg/30W-I
TOXIC EFFECTS :
   Tumorigenic - neoplastic by RTECS criteria
   Tumorigenic - tumors at site of application
REFERENCE :
   JNCIAM Journal of the National Cancer Institute.  (Washington, DC)  V.1-60,
   1940-78.  For publisher information, see JJIND8.  Volume(issue)/page/year:
   37,825,1966

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 38 gm/kg/76W-I
TOXIC EFFECTS :
   Tumorigenic - Carcinogenic by RTECS criteria
   Tumorigenic - tumors at site of application
REFERENCE :
   JNCIAM Journal of the National Cancer Institute.  (Washington, DC)  V.1-60,
   1940-78.  For publisher information, see JJIND8.  Volume(issue)/page/year:
   39,1213,1967

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Administration onto the skin
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 59 gm/kg/49W-I
TOXIC EFFECTS :
   Tumorigenic - Carcinogenic by RTECS criteria
   Skin and Appendages - tumors
   Tumorigenic - tumors at site of application
REFERENCE :
   JNCIAM Journal of the National Cancer Institute.  (Washington, DC)  V.1-60,
   1940-78.  For publisher information, see JJIND8.  Volum

TYPE OF TEST            : TD - Toxic dose (other than lowest)
ROUTE OF EXPOSURE       : Administration onto the skin
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 80 gm/kg/67W-I
TOXIC EFFECTS :
   Tumorigenic - Carcinogenic by RTECS criteria
   Skin and Appendages - tumors
   Tumorigenic - tumors at site of application
REFERENCE :
   14JTAF "Mycotoxins in Foodstuffs, Proceedings of the Symposium held at the
   Massachusetts Institute of T

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 17200 uL/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   AIHAAP American Industrial Hygiene Association Journal.  (AIHA, 475 Wolf
   Ledges Pkwy., Akron, OH 44311)  V.19-    1958-  Volume(issue)/page/year:
   30,470,1969

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/year: 1/20/1966

TYPE OF TEST            : Mutation test systems - not otherwise specified
TEST SYSTEM             : Bacteria - Salmonella typhimurium
DOSE/DURATION           : 130 ug/L
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 192,239,1987

TYPE OF TEST            : Micronucleus test
ROUTE OF EXPOSURE       : Intraperitoneal
TEST SYSTEM             : Rodent - mouse
DOSE/DURATION           : 3 gm/kg/48H (Intermittent)
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 389,3,1997

TYPE OF TEST            : DNA damage
TEST SYSTEM             : Mammal - species unspecified Lymphocyte
DOSE/DURATION           : 10 mmol/L
REFERENCE :
   BBACAQ Biochimica et Biophysica Acta.  (Elsevier Science Pub. B.V., POB 211,
   1000 AE Amsterdam, Netherlands)  V.1-    1947- Volume(issue)/page/year:
   138,611,1967

Storage condition

其他信息

  • 类别:有毒物质
  • 刺激数据:皮肤-兔 500 毫克 中度
  • B-丁内酯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/04/16 B0901 β-丁内酯 beta-Butyrolactone 500ML 4510元 2011/04/16 B0901 β-丁内酯 beta-Butyrolactone 25ML 499元
  • 急性毒性:口服-大鼠 LD50: 17200 微升/公斤
  • 毒性分级:低毒
  • 上游原料:碳酸钠 --> 三氯甲烷 --> 3-溴丁酸
  • 图谱信息:B-丁内酯(3068-88-0)质谱(MS) B-丁内酯(3068-88-0)Raman光谱 B-丁内酯(3068-88-0)核磁图( 13 CNMR) B-丁内酯(3068-88-0)核磁图( 1 HNMR) B-丁内酯(3068-88-0)红外图谱(IR1)
  • Sigma Aldrich:3068-88-0(sigmaaldrich)
  • 灭火剂:水, 干粉, 二氧化碳, 泡沫
  • 可燃性危险特性:热分解排出辛辣刺激烟雾
  • B-丁内酯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 B0901 β-丁内酯 beta-Butyrolactone 500ML 4200元 2014/06/02 B0901 β-丁内酯 beta-Butyrolactone 25ML 429元
  • 储运特性:库房通风低温干燥
  • TCI Shanghai:β-丁内酯 beta-Butyrolactone,>;95.0%(GC)(3068-88-0)
  • MOL 文件:3068-88-0.mol

系列性分类


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