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Basic information
- CAS
2445-69-4- Standard SMILES
CCC(C)COC(=O)C(C)C- InChIKey
DUAXUBMIVRZGCO-UHFFFAOYSA-N- Molecular formula
- C9H18O2
- Average molar mass
- 158.241 g/mol
- Monoisotopic mass
- 158.13067982
Names & identifiers
- Preferred name
- 2-Methylbutyl 2-methylpropanoate
- IUPAC
- 2-Methylbutyl 2-methylpropanoate
- English name
- Methyl-2-butyl-iso-butyrate
- Molecular formula
- C9H18O2
- Molecular weight
- 158.24
Names & synonyms
Isoamyl isobutyratePropanoic acid, 2-methyl-, 2-methylbutyl ester2-Methylbutyl isobutyrate2-Methylbutyl 2-methylpropionateMethyl-2-butyl-iso-butyrate2-methylbutyl 2-methylpropanoateMethyl-2-butyl-isobutyrate >=99.0%Isobutyric acid, 2-methylbutyl esterMETHYL-2-BUTYL-ISO-BUTYRATE USP/EP/BPNatural 2-Methylbutyl Isobutyrate
Database identifiers
- CAS
2445-69-4- PubChem CID
- 97883
- DTXSID
DTXSID80862946- ChEBI
CHEBI:167088- UNII
- UC67Z9233Z
- EC Number
- 219-493-0
- Nikkaji
- J100.891I
Properties
Physicochemical properties
- Melting point
- -73 °C · -73°C (estimate)
- Boiling point
- 183.34 °C · 183.34°C (estimate)
- Density
- 0.8809 · 0.8809 (estimate)
- refractive index
- 1.3845 · 1.3845 (estimate)
- FEMA
- 3507 · 3507 | 3-METHYLBUTYL 2-METHYLPROPANOATE
- FLAVIS Number
- 9.663 · 09.663 | 2-Methylbutyl isobutyrate
- Odor
- 100 % · at 100.00 %. fruity ethereal tropical banana
- Odor Type
- fruity
- LogP
- 3.021 · 3.021 (est)
- FDA 21 CFR
- 172.515 · 172.515
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 67 Z9233Z · UC67Z9233Z
- NIST Chemistry Reference
- 2 · Propanoic acid, 2-methyl-, 2-methylbutyl ester(2445-69-4)
- Symbol(GHS)
- 2 · GHS02
- Signal word
- Warning
- Hazard statements
- 226 · H226
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS02
- Hazard statements
- H226
Chemistry & industry
Suppliers54 total
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
湖北成丰化工有限公司13125175253 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
清宁生物（江苏博泉生物科技有限公司）王 19352250998 13160238781 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海赛可锐生物科技有限公司021-58000709 13120558703 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
江西瑞威尔生物科技有限公司18502762009 · [email protected]
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
湖北长耀生物科技有限公司17683887209 17683887209 · [email protected]
泰安嘉岳生物化工有限公司15318151873 13561760680 · [email protected]
康迪斯化工（湖北）有限公司13125172151 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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