Basic Description

Synonyms	N-BUTYL CARBONATE [MI] \| EINECS 208-816-0 \| n-C4H9OC(O)OC4H9-n \| Dibutylcarbonate \| Dibuthyl carbonate \| MFCD00043938 \| SCHEMBL37837 \| Q27263518 \| Dibutyl carbonate \| Di-n-butyl carbonate; Dibutyl carbonate; Jeffsol AG 1560; NSC 8462; n-Butyl carbonate; C
Specifications & Purity	≥98%
Storage Temp	Store at 2-8°C,Argon charged,Desiccated
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic acids and derivatives
  - Class Organic carbonic acids and derivatives
    - Subclass Carbonic acid diesters

Kingdom	Organic compounds
Superclass	Organic acids and derivatives
Class	Organic carbonic acids and derivatives
Subclass	Carbonic acid diesters
Intermediate Tree Nodes	Not available
Direct Parent	Carbonic acid diesters
Alternative Parents	Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic acyclic compounds
Substituents	Carbonic acid diester - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as carbonic acid diesters. These are compounds comprising the carbonic acid diester functional group.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

Pubchem Sid	504754280
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504754280
IUPAC Name	dibutyl carbonate
INCHI	InChI=1S/C9H18O3/c1-3-5-7-11-9(10)12-8-6-4-2/h3-8H2,1-2H3
InChIKey	QLVWOKQMDLQXNN-UHFFFAOYSA-N
Smiles	CCCCOC(=O)OCCCC
Isomeric SMILES	CCCCOC(=O)OCCCC
Molecular Weight	174.23
Reaxy-Rn	1759273
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1759273&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

7 results found

Lot Number	Certificate Type	Date	Item
D2517346	Certificate of Analysis	Apr 07, 2025	C303940
D2517347	Certificate of Analysis	Apr 07, 2025	C303940
D2517348	Certificate of Analysis	Apr 07, 2025	C303940
I2411329	Certificate of Analysis	Sep 02, 2024	C303940
C2309397	Certificate of Analysis	Dec 15, 2022	C303940
C2309406	Certificate of Analysis	Dec 15, 2022	C303940
C2309407	Certificate of Analysis	Dec 15, 2022	C303940

Chemical and Physical Properties

Sensitivity	Moisture Sensitive
Refractive Index	1.41
Flash Point(°C)	76°C
Boil Point(°C)	207.2°C
Melt Point(°C)	< 25°C
Molecular Weight	174.240 g/mol
XLogP3	3.000
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	8
Exact Mass	174.126 Da
Monoisotopic Mass	174.126 Da
Topological Polar Surface Area	35.500 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	100.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

Citations of This Product

How to Cite Aladdin Scientific Products?

1. Yi-Ying Zhuang, Xiao-Chao Chen, Kai-Chun Zhao, Guo-Sheng Zhang, Yu-Fen Xie, Yong Lu, Ye Liu. (2023) Pd-catalyzed anti-Markovnikov Hydrocarboxylation of Vinylarenes with Formic Acid Free of Auxiliary Additive. Asian Journal of Organic Chemistry, 12 (7): (e202300216).
2. Xiaomeng Deng, Wensheng Wei, Zizhen Yan, Zhanguo Zhang, Yuxin Wang, Guangwen Xu, Jianjun Guo, Jinggang Zhao, Lei Shi. (2024) Product as additive for facilitating CO2 conversion into cyclic carbonate. Journal of CO2 Utilization, 84 (102850).
3. Xiangzhu Ye, Jiawei Ruan, Lifang Chen, Zhiwen Qi. (2024) Structure effects of imidazolium ionic liquids on integrated CO2 absorption and transformation to dimethyl carbonate. Journal of Environmental Chemical Engineering, 12 (112790).

Solution Calculators

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SKU	Size	Availability	Price
C303940-25g	25g	3	$12.90
C303940-100g	100g	3	$39.90
C303940-500g	500g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$129.90

carbonic acid dibutyl ester - 98%, high purity , CAS No.542-52-9