Basic information
- CAS
589-40-2- Standard SMILES
CCC(C)OC=O- InChIKey
OAEQYDZVVPONKW-UHFFFAOYSA-N- Molecular formula
- C5H10O2
- Average molar mass
- 102.13 g/mol
- Monoisotopic mass
- 102.06807956
Overview
sec-butyl formate has been reported in Mangifera indica with data available.
Names & identifiers
- Preferred name
- sec-Butyl formate
- IUPAC
- butan-2-yl formate
- English name
- ButylFormate
- Molecular formula
- C5H10O2
- Molecular weight
- 102.13
Names & synonyms
sec-Butyl formateFormic acid, 1-methylpropyl ester589-40-22-Butyl formates-Butyl formateNSC 8430DTXSID80862249Sec-butyl formic acidRefChem:182121DTXCID10811043611-764-5OAEQYDZVVPONKW-UHFFFAOYSA-N
Show more names
SEC-BUTYLFORMATEbutan-2-yl methanoateFormic acid sec-butyl ester
butan-2-yl formatesec-Butyl methanoateFormic acid, sec-butyl esterFormic acid,1-methylpropyl esterSCHEMBL26533SCHEMBL27984SCHEMBL6616131SCHEMBL9658742
Database identifiers
- CAS
589-40-2- PubChem CID
- 79049
- DTXSID
DTXSID80862249- EC Number
- 611-764-5
- Nikkaji
- J95.001G
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 52
Experimental & physicochemical properties
Flavoring AgentsEU Flavoring substances
Physicochemical properties
- Melting point
- -93.85 °C · -93.85°C (estimate)
- Boiling point
- 99.85 °C · 99.85°C
- Density
- 0.8786 · 0.8786
- refractive index
- 1.3865 · 1.3865
- FLAVIS Number
- 9.328 · 09.328 | sec-Butyl formate
- Henry's Law Constant
- 1.9 · 1.9×10-2 mol/(m3Pa) at 25℃, Gharagheizi et al. (2012)
- LogP
- 1.24 · 1.240 (est)
- EWG's Food Scores
- 1 · 1
- EPA Substance Registry System
- 1 · Formic acid, 1-methylpropyl ester (589-40-2)
- Symbol(GHS)
- 2 · GHS02
- Signal word
- Danger
- Hazard statements
- 225 · H225
- Precautionary statements
- 210 · P210-P233-P240-P241-P242-P243-P280-P303+P361+P353-P370+P378-P403+P235-P501
- RIDADR
- 1993 · 1993
- TSCA
- TSCA listed
- HazardClass
- 3.1 · 3.1
- PackingGroup
- II
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 2.1% (5 of 240) of reports.
Danger
H225 (97.9%): Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 240 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Formic acid, 1-methylpropyl ester: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesFlam. Liq. 2 (97.9%)
Safety data
- tsca
- TSCA listed
- ridadr
- 1993
- Signal word
- Danger
- Symbol(GHS)
- GHS02
- hazard_class
- 3.1
- packing_group
- II
- Hazard statements
- H225
- Precautionary statements
- P210-P233-P240-P241-P242-P243-P280-P303+P361+P353-P370+P378-P403+P235-P501
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationFormic acid, 1-methylpropyl ester: ACTIVE
Upstream & downstream products
Downstream products
Suppliers5 total
上海仲因实业有限公司2537653158 16621191650 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
西安莱茵生物科技有限公司86-(0)29-85992781 17792393971 · [email protected]
Novachemistry44-20819178-90 02081917890 · [email protected]
Shaanxi Didu New Materials Co. Ltd+86-86-17392712779 +86-13289823923 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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