Basic information
- CAS
615-12-3- Standard SMILES
CC(C)CCOC(=O)c1ccco1- InChIKey
FPBZWZKAUPNMMV-UHFFFAOYSA-N- Molecular formula
- C10H14O3
- Average molar mass
- 182.22 g/mol
- Monoisotopic mass
- 182.0942943
Overview
Isoamyl 2-furoate is a carboxylic ester. It is functionally related to a 2-furoic acid.
Names & identifiers
- Preferred name
- 3-Methylbutyl 2-furoate
- IUPAC
- 3-methylbutyl furan-2-carboxylate
- English name
- 2-Furancarboxylic acid isoamyl ester
- Molecular formula
- C10H14O3
- Molecular weight
- 182.22
Names & synonyms
615-12-33-Methylbutyl 2-furoate2-Furancarboxylic acid, 3-methylbutyl esterEINECS 210-409-8AI3-14771DTXSID20210467RefChem:504173DTXCID20132958210-409-8Isopentyl furan-2-carboxylate2-Furancarboxylic Acid Isoamyl Ester3-methylbutyl furan-2-carboxylate
Show more names
Isopentyl 2-furoateISOAMYL 2-FURANCARBOXYLATE2-FUROIC ACID ISOAMYL ESTER2-Furoic acid isopentyl esterfurancarboxylicacidisoamylester2-Furanecarboxylicacidisoamylester
Isoamyl 2-Furoateiso-Amyl 2-furoateMFCD00059015furan-2-carboxylic acid isopentyl esterIsoamyl 2-Furancarboxylate (contains 2-Methylbutyl 2-Furancarboxylate)Isopentyl 2-furoate #Isopentylfuran-2-carboxylateSCHEMBL529031
Database identifiers
- CAS
615-12-3- PubChem CID
- 69203
- DTXSID
DTXSID20210467- ChEBI
CHEBI:179565- EC Number
- 210-409-8
- Nikkaji
- J47.708G
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 39.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 166
Experimental & physicochemical properties
SpringerMaterials PropertiesOptical coefficient
Physicochemical properties
- Boiling point
- 232 °C · 232 °C
- Density
- 1.03 · 1.03
- refractive index
- 1.469 · 1.4690-1.4740
- form
- clear liquid
- color
- Colorless to Yellow
- InChI
- 1S/C10H14O3/c1-8(2)5-7-13-10(11)9-4-3-6-12-9/h3-4,6,8H,5,7H2,1-2H3
- InChIKey
- FPBZWZKAUPNMMV-UHFFFAOYSA-N
- SMILES
- CC(C)CCOC(=O)c1ccco1
- LogP
- 2.984 · 2.984 (est)
- UNSPSC Code
- 12352200 · 12352200
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 227 · H227-H302
- Precautionary statements
- 210 · P210-P280-P370+P378-P403+P235-P501
- Hazard Codes
- Xi
- Risk Statements
- 43 · 43
- Safety Statements
- 36 · 36/37
- WGK Germany
- 3 · WGK 3
- HS Code
- 3204.9 · 3204.90.0000
- Storage Class
- 11 · 11 - Combustible Solids
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationChemical: 2-Furancarboxylic acid, 3-methylbutyl ester
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Safety data
- wgk
- WGK 3
- hs_code
- 3204.90.0000
- risk_code
- 43
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 36/37
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H227-H302
- Precautionary statements
- P210-P280-P370+P378-P403+P235-P501
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
Suppliers18 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海仲因实业有限公司2537653158 16621191650 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
玛雅试剂+86 (573) 82222445 (0)18006601000 452520369 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
九鼎化学（上海）科技有限公司4009209199 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 15955137747 · [email protected]
TCI Chemicals (India) Pvt. Ltd.[email protected]
Aladdin Scientific[email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
南京予善化工有限公司+86-025-025-85281586 18651653755 · [email protected]
Additional notes
DefinitionChEBI: Isoamyl 2-furoate is a carboxylic ester. It is functionally related to a 2-furoic acid.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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