CAS number
1117-55-1

Molecular formula
C14H28O2

SMILES
CCCCCCCC(=O)OCCCCCC

Retention indicies (RI)

• Carbowax: 1805.5

fruity	89.73%
green	81.36%
oily	69.69%
winey	66.3%
fatty	59.86%
sweet	57.97%
waxy	56.61%
herbal	55.35%
cognac	54.72%
floral	50.96%

Scent© AI

XLogP3-AA
5.3 Well soluble in BB, IPM, DOA

Molecular weight
228.37 g/mol

Vapor pressure est.

• 0.0012 hPa @ 20°C
• 0.0023 hPa @ 25°C

Melting points

• -31 °C

Solubilities

• soluble in alcohol; insoluble in water

• Hexyl octanoate
• 1117-55-1
• Hexyl caprylate
• n-Hexyl caprylate
• OCTANOIC ACID, HEXYL ESTER
• Hexyl octylate
• FEMA No. 2575
• Hexyl octanoate (natural)
• FEMA 2575
• Caproyl caprylate
• EINECS 214-247-9
• UNII-GU3S7YK802
• BRN 1769635
• GU3S7YK802
• DTXSID8047636
• CHEBI:87490
• AI3-33727
• N-HEXYL-N-OCTANOATE
• HEXYL OCTANOATE [FHFI]
• DTXCID6027636
• WE(6:0/8:0)
• 3-02-00-00794 (Beilstein Handbook Reference)
• 8-(5-Hexyl-furan-2-yl)-octanoate
• OCTANOIC ACID HEXYL ESTER
• Hexyl octylic acid
• Hexyl caprylic acid
• Hexyl octanoic acid
• MFCD00048920
• starbld0009580
• Fema2575
• Hexyl octanoate, >=97%
• SCHEMBL310160
• CHEMBL3182596
• Tox21_302578
• LMFA07010448
• AKOS015839915
• NCGC00256630-01
• AS-56679
• CAS-1117-55-1
• CS-0451191
• NS00012617
• D95774
• Q27159666
• 214-247-9
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