Basic information
- CAS
72928-48-4- Standard SMILES
CCCCCCCCCCOC(=O)CC(C)C- InChIKey
VKGHOXUAAAZEBE-UHFFFAOYSA-N- Molecular formula
- C15H30O2
- Average molar mass
- 242.4 g/mol
- Monoisotopic mass
- 242.2245802
Overview
See also: Decyl 3-methylbutyrate (annotation moved to).
Names & identifiers
- Preferred name
- Butanoic acid, 3-methyl-, decyl ester
- IUPAC
- decyl 3-methylbutanoate
- English name
- decyl isovalerate
- Molecular formula
- C15H30O2
- Molecular weight
- 242.4
Names & synonyms
decyl 3-methylbutanoateButanoic acid, 3-methyl-, decyl esterEINECS 277-077-4DTXSID20868205RefChem:571438DTXCID90816334Decyl isovalerate72928-48-4IsovaleriansauredecylesterIsovaleric acid, decyl esterSCHEMBL23948108NS00012203
Show more names
3-Methylbutanoic acid decyl ester
Q63395423
Database identifiers
- CAS
72928-48-4- PubChem CID
- 166371
- DTXSID
DTXSID20868205- EC Number
- 277-077-4
- Nikkaji
- J296.413I
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 12
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 176
Physicochemical properties
- Boiling point
- 281.3 · 281.3±8.0 °C(Predicted)
- Density
- 0.865 · 0.865±0.06 g/cm3(Predicted)
- FLAVIS Number
- 9.839 · 09.839 | Decyl 3-methylbutyrate
- Cosmetics Ingredients Functions
- PERFUMING
- LogP
- 6.234 · 6.234 (est)
- EPA Substance Registry System
- 3 · Butanoic acid, 3-methyl-, decyl ester (72928-48-4)
- TSCA
- TSCA listed
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
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationButanoic acid, 3-methyl-, decyl ester: INACTIVE
Suppliers3 total
吉良化学21-62165282 · [email protected]
上海问彩新材料科技有限公司15721586846 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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