6-(5-Decenoyloxy)decenoic acid, (5E)-
Basic information
- CAS
85392-05-8- Standard SMILES
CCCC/C=C/CCCC(=O)OC(CCCC)CCCCC(=O)O- InChIKey
OKPRNPZBHHJXBQ-CMDGGOBGSA-N- Molecular formula
- C20H36O4
- Average molar mass
- 340.5 g/mol
- Monoisotopic mass
- 340.26135963
Overview
See also: 5-Decenoic acid, 1-butyl-5-carboxypentyl ester (annotation moved to).
Names & identifiers
- Preferred name
- 6-(5-Decenoyloxy)decenoic acid, (5E)-
- IUPAC
- 6-[(E)-dec-5-enoyl]oxydecanoic acid
- English name
- 1-butyl-5-carboxypentyl 5-decenoate
- Molecular formula
- C20H36O4
- Molecular weight
- 340.5
Names & synonyms
07E2BJ3Q3DFEMA NO. 4442, 5E-DECENOYLOXY-6-(5-DECENOYLOXY)DECENOIC ACID, (5E)-RefChem:199054(+-)-6-(5-DECENOYLOXY)DECENOIC ACID, (5E)-UNII-LSX05I9UYYEINECS 286-863-61-Butyl-5-carboxypentyl 5-decenoate6-(5-Decenoyloxy)decenoic acidLSX05I9UYY85392-05-8OKPRNPZBHHJXBQ-CMDGGOBGSA-N
Show more names
6-[5(6)-DECENOYLOXY]DECANOIC ACID5-Decenoic acid 1-butyl-5-carboxypentyl ester
(5E)-6-(5-decenoyloxy)decenoic acidQ27236301(+/-)-6-(5-DECENOYLOXY)DECENOIC ACID, (5E)-
Database identifiers
- CAS
85392-05-8- PubChem CID
- 6441973
- UNII
- 07E2BJ3Q3D
- EC Number
- 286-863-6
- Nikkaji
- J310.398F
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 17
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 350
Physicochemical properties
- Boiling point
- 463 · 463.0±38.0 °C(Predicted)
- Density
- 0.97 · 0.970±0.06 g/cm3(Predicted)
- FEMA
- 4442 · 4442 | 6-[5(6)-DECENOYLOXY]DECANOIC ACID
- pka
- 4.73 · 4.73±0.10(Predicted)
- Odor
- 10 % · at 10.00 % in dipropylene glycol. milky green fruity jasmin lactonic gardenia peach
- Odor Type
- milky
- JECFA Number
- 1977 · 1977
- LogP
- 6.53 · 6.53
- FDA UNII
- 5 I9UYY · LSX05I9UYY
- EPA Substance Registry System
- 5 · 5-Decenoic acid, 1-butyl-5-carboxypentyl ester (85392-05-8)
- 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
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Related reactions
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Compound notes
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