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94-50-8

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94-50-8 Structure

94-50-8 Structure
IdentificationBack Directory
[Name]

octyl benzoate
[CAS]

94-50-8
[Synonyms]

NSC 21846
Dena PF 681
octyl benzoate
n-Octyl benzoate
1-Octyl Benzoate
Octyl alcohol, benzoate
Benzoic acid, octyl ester
Benzoic acid 1-Octanyl Ester
[EINECS(EC#)]

202-339-1
[Molecular Formula]

C15H22O2
[MDL Number]

MFCD00995104
[MOL File]

94-50-8.mol
[Molecular Weight]

234.334
Chemical PropertiesBack Directory
[Boiling point ]

182-183 °C(Press: 21 Torr)
[density ]

0.9614 g/cm3
[storage temp. ]

Sealed in dry,Room Temperature
[Odor]

at 100.00 %. fruity balsam
[Odor Type]

balsamic
[LogP]

5.691 (est)
[NIST Chemistry Reference]

Benzoic acid, octyl ester(94-50-8)
[EPA Substance Registry System]

Benzoic acid, octyl ester(94-50-8)
Hazard InformationBack Directory
[Uses]

Octyl Benzoate is used as a fragrance agent.
[Definition]

ChEBI: Octyl benzoate is a benzoate ester resulting from the formal condensation of the carboxy group of benzoic acid with the hydroxy group of octan-1-ol. It is found in the leaves of lemon balm. It has a role as a fragrance and a plant metabolite. It is functionally related to a benzoic acid and an octan-1-ol.
[Synthesis Reference(s)]

Canadian Journal of Chemistry, 71, p. 90, 1993 DOI: 10.1139/v93-013
Tetrahedron Letters, 27, p. 15, 1986 DOI: 10.1016/S0040-4039(00)83927-1
Raw materials And Preparation ProductsBack Directory
[Raw materials]

1-Octanol-->TRIPHENYLFLUOROSILANE-->Triphenylsilane-->BENZOYL FLUORIDE
Spectrum DetailBack Directory
[Spectrum Detail]

octyl benzoate(94-50-8)MS
octyl benzoate(94-50-8)1HNMR
octyl benzoate(94-50-8)13CNMR
octyl benzoate(94-50-8)IR1
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