W281107
Octyl octanoate
≥98%, FG
Synonym(s):
Octyl caprylate
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About This Item
Empirical Formula (Hill Notation):
C16H32O2
CAS Number:
Molecular Weight:
256.42
FEMA Number:
2811
Council of Europe no.:
395
UNSPSC Code:
12164502
PubChem Substance ID:
Flavis number:
9.114
EC Number:
218-980-5
NACRES:
NA.21
MDL number:
Organoleptic:
coconut; oily; fruity; sweet
Grade:
FG, Kosher
Biological source:
synthetic
Agency:
meets purity specifications of JECFA
Food allergen:
no known allergens
biological source
synthetic
grade
FG, Kosher
agency
meets purity specifications of JECFA
reg. compliance
EU Regulation 1334/2008 & 872/2012
assay
≥98%
refractive index
n20/D 1.435 (lit.)
bp
307 °C (lit.)
mp
−18 °C (lit.)
density
0.859 g/mL at 25 °C (lit.)
application(s)
flavors and fragrances
documentation
see Safety & Documentation for available documents
food allergen
no known allergens
organoleptic
coconut; oily; fruity; sweet
SMILES string
CCCCCCCCOC(=O)CCCCCCC
InChI
1S/C16H32O2/c1-3-5-7-9-11-13-15-18-16(17)14-12-10-8-6-4-2/h3-15H2,1-2H3
InChI key
DJNTZVRUYMHBTD-UHFFFAOYSA-N
Storage Class
10 - Combustible liquids
wgk
nwg
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
Eyeshields, Gloves
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Seyed Mehdi Razavi et al.
Natural product research, 24(18), 1704-1709 (2009-07-17)
The hydrodistillated essential oils from leaves and fruits of Ecballium elaterium were analysed by GC-MS. Octyl octanoate (30.0%), 3-(6,6- dimethyl-5-oxohept-2-enyl)-cyclohexanone (20.4%) and hexahydro farnesyl acetone (19.1%) were the main components among 21 constituents characterised in the leaf oil. Twenty-one compounds
Dirk Louis P Schorkopf et al.
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