Cas no 44603-18-1 (1,1,4-Butanetriol)
1,1,4-Butanetriol structure
Product Name:1,1,4-Butanetriol
CAS No:44603-18-1
MF:C4H10O3
MW:106.120401859283
CID:328843
PubChem ID:11815830
Update Time:2025-04-19
1,1,4-Butanetriol Chemical and Physical Properties
Names and Identifiers
-
- 1,1,4-Butanetriol
- 1,2,4-BUTANETRIOL
- 1,2,4-BUTANTRIOL
- butane-1,1,4-triol
- SCHEMBL2957713
- FT-0695264
- 4-Butantriol
- DTXSID10473403
- SCHEMBL599332
- 44603-18-1
-
- Inchi： 1S/C4H10O3/c5-3-1-2-4(6)7/h4-7H,1-3H2
- InChI Key： CLQZEZFINZCXFG-UHFFFAOYSA-N
- SMILES： OC(CCCO)O
Computed Properties
- Exact Mass: 106.06300
- Monoisotopic Mass: 106.062994177g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 7
- Rotatable Bond Count: 3
- Complexity: 35.9
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -0.9
- Topological Polar Surface Area: 60.7?2
Experimental Properties
- Density: 1.19?g/mL?at 25?°C(lit.)
- Boiling Point: 190-191?°C18?mm Hg(lit.)
- Flash Point: 153.9 °C
- Refractive Index: n20/D 1.473(lit.)
- PSA: 60.69000
- LogP: -1.27800
1,1,4-Butanetriol Customs Data
- HS CODE：2905499000
- Customs Data：
China Customs Code:
2905499000Overview:
2905499000 Other polyols.Regulatory conditions:nothing.VAT:17.0%.Tax refund rate:9.0%.MFN tariff:5.5%.general tariff:30.0%
Declaration elements:
Product Name, component content, use to, packing
Summary:
2905499000 other polyhydric alcohols.Supervision conditions:None.VAT:17.0%.Tax rebate rate:9.0%.MFN tariff:5.5%.General tariff:30.0%
1,1,4-Butanetriol Related Literature
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
-
Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
-
Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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