Basic information
- CAS
14144-48-0- Standard SMILES
CCCCOCCC(=O)OCCCC- InChIKey
BMOACRKLCOIODC-UHFFFAOYSA-N- Molecular formula
- C11H22O3
- Average molar mass
- 202.29 g/mol
- Monoisotopic mass
- 202.15689456
Names & identifiers
- Preferred name
- Butyl 3-butoxypropanoate
- IUPAC
- butyl 3-butoxypropanoate
- English name
- butyl 3-butoxypropanoate
- Molecular formula
- C11H22O3
- Molecular weight
- 202.29
Names & synonyms
butyl 3-butoxypropanoate14144-48-0DTXSID10324365RefChem:1080368DTXCID90275482Propanoic acid, 3-butoxy-, butyl esterPropanoic acid,3-butoxy-, butyl esterMFCD289774873-butoxy-propionic acid butyl esterNSC406516butyl3-butoxypropanoateSCHEMBL446057
Show more names
butyl 3-butoxypropionate
orb2664739orb29003373-butoxy-propanoic acid butyl esterAKOS032947941NSC-406516AS-77075CS-0098414D92890
Database identifiers
- CAS
14144-48-0- PubChem CID
- 347708
- DTXSID
DTXSID10324365- Nikkaji
- J191.581I
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 10
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 134
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
Physicochemical properties
- Boiling point
- 280.42 °C · 280.42°C (rough estimate)
- Density
- 1.027 · 1.0270 (rough estimate)
- refractive index
- 1.4174 · 1.4174 (estimate)
- Water Solubility
- 799.4 mg/L · 799.4mg/L(25 ºC)
- InChI
- InChI=1S/C11H22O3/c1-3-5-8-13-10-7-11(12)14-9-6-4-2/h3-10H2,1-2H3
- InChIKey
- BMOACRKLCOIODC-UHFFFAOYSA-N
- SMILES
- C(OCCCC)(=O)CCOCCCC
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers18 total
荟达医药科技(上海)有限公司15173502222 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]
成都卡麦尔医药科技有限公司028-67136579 15828051124 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
山东领海生物科技有限公司15092083467 · [email protected]
安阳鸿蒙新材料有限公司19588588067 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
河南威梯希化工科技有限公司0371-53370800 18037197114 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
河南天孚化工有限公司+86-0371-55170693 +86-19937530512 · [email protected]
上海凯为化学科技有限公司021-58461859 15821823057 · [email protected]
上海迈瑞尔生化科技有限公司18621169109 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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