-
Name
Ethyl tetrahydro-2-furoate
- EINECS
- CAS No. 16874-34-3
- Article Data17
- CAS DataBase
- Density 1.077 g/cm3
- Solubility
- Melting Point
- Formula C7H12O3
- Boiling Point 180.813 °C at 760 mmHg
- Molecular Weight 144.17
- Flash Point 65.583 °C
- Transport Information
- Appearance colorless to light yellow liquid
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms 2-Furoicacid, tetrahydro-, ethyl ester (6CI,8CI);Ethyl 2-tetrahydrofuroate;Ethyltetrahydro-2-furancarboxylate;Ethyl tetrahydrofuroate;Tetrahydro-2-furoicacid ethyl ester;
- PSA 35.53000
- LogP 0.72850
Ethyl tetrahydro-2-furoate Specification
The IUPAC name of Ethyl tetrahydro-2-furoate is ethyl oxolane-2-carboxylate. With the CAS registry number 16874-34-3, it is also named as 2-Furancarboxylic acid,tetrahydro-, ethyl ester. The product's category is Furan & Benzofuran. In addition, its molecular formula is C7H12O3 and its molecular weight is 144.17. it is colorless to light yellow liquid, which is used as pharmaceutical intermediate and solvent.
The other characteristics of Ethyl tetrahydro-2-furoate can be summarized as: (1)ACD/LogP: 0.62; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0; (4)ACD/LogD (pH 7.4): 0; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 39; (8)ACD/KOC (pH 7.4): 39; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 35.53 Å2; (13)Index of Refraction: 1.445; (14)Molar Refractivity: 35.636 cm3; (15)Molar Volume: 133.878 cm3; (16)Polarizability: 14.127×10-24cm3; (17)Surface Tension: 34.546 dyne/cm; (18)Density: 1.077 g/cm3; (19)Flash Point: 65.583 °C; (20)Enthalpy of Vaporization: 41.708 kJ/mol; (21)Boiling Point: 180.813 °C at 760 mmHg; (22)Vapour Pressure: 0.879 mmHg at 25 °C.
People can use the following data to convert to the molecule structure.
(1)SMILES: O=C(OCC)C1OCCC1
(2)InChI: InChI=1/C7H12O3/c1-2-9-7(8)6-4-3-5-10-6/h6H,2-5H2,1H3
(3)InChIKey: GQQLWKZRORYGHY-UHFFFAOYAC
(4)Std. InChI: InChI=1S/C7H12O3/c1-2-9-7(8)6-4-3-5-10-6/h6H,2-5H2,1H3
(5)Std. InChIKey: GQQLWKZRORYGHY-UHFFFAOYSA-N
Related Products
- Ethyl (13-cis)-9-(4-methoxy-2,3,6-trimethylphenyl)-3,7-dimethyl-2,4,6,8-nonatetraenoate
- ethyl (1R,2R)-1-phenyl-2-(trideuteriomethylamino)cyclohex-3-ene-1-carboxylate,hydrochloride
- Ethyl (1S,2R)-2-(dimethylamino)-1-phenylcyclohex-3-ene-1-carboxylate hydrochloride
- Ethyl (2-bromopropionamido)acetate
- Ethyl (2-cyanoimino-5,6-dichloro-1,2,3,4-tetrahydroquinazolin-3-yl)acetate
- Ethyl (2-mercaptoethyl) carbamate S-ester with O,O-dimethyl phosphorodithioate
- Ethyl (2Z)-chloro[(4-methoxyphenyl)hydrazono]acetate
- Ethyl (3-chlorobenzoyl)acetate
- Ethyl (3R)-piperidine-3-carboxylate
- Ethyl (3R,S)-2,2-difluoro-3-hydroxy-3-(2,2-dimethyldioxolan-4-yl)propionate
- 16874-70-7
- 16874-75-2
- 16874-81-0
- 1687-51-0
- 16875-11-9
- 1687-52-1
- 1687-53-2
- 168754-51-6
- 168759-64-6
- 1687-64-5
Hot Products
About|Contact|Cas|Product Name|Molecular|Country|Encyclopedia
Message|New Cas|MSDS|Service|Advertisement|CAS DataBase|Article Data|Manufacturers | Chemical Catalog
©2008 LookChem.com,License: ICP
NO.:Zhejiang16009103
complaints:service@lookchem.com Desktop View