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Merck
CN

W281107

Octyl octanoate

≥98%, FG

Synonym(s):

Octyl caprylate

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About This Item

Empirical Formula (Hill Notation):
C16H32O2
CAS Number:
2306-88-9
Molecular Weight:
256.42
Council of Europe no.:
395
UNSPSC Code:
12164502
FEMA Number:
2811
PubChem Substance ID:
24901190
Flavis number:
9.114
EC Number:
218-980-5
NACRES:
NA.21
MDL number:
MFCD00129710
Organoleptic:
coconut; oily; fruity; sweet
Grade:
FG, Kosher
Biological source:
synthetic
Agency:
meets purity specifications of JECFA
Food allergen:
no known allergens

Key Documents

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SMILES string

CCCCCCCCOC(=O)CCCCCCC

InChI key

DJNTZVRUYMHBTD-UHFFFAOYSA-N

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

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

Quality Level

300, 400

Related Categories

Storage Class

10 - Combustible liquids

wgk

nwg

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
SHBT0307
SHBQ7632
MKCH5204
MKCB9025
MKBZ9826V

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R A Stenning et al.
Bio/technology (Nature Publishing Company), 11(11), 1299-1301 (1993-11-01)
The distribution of water and the formation of microphases during the synthesis of octyl octanoate and the hydrolysis of triolein catalyzed by immobilized lipase have been directly monitored in real time using confocal laser microscopy.
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
Elinor M Lichtenberg et al.
Behavioral ecology and sociobiology, 65(4), 763-774 (2011-04-09)
Foragers can improve search efficiency, and ultimately fitness, by using social information: cues and signals produced by other animals that indicate food location or quality. Social information use has been well studied in predator-prey systems, but its functioning within a
Dirk Louis P Schorkopf et al.
Proceedings. Biological sciences, 274(1611), 895-898 (2007-01-26)
Stingless bees of the species Trigona spinipes (Fabricius 1793) use their saliva to lay scent trails communicating the location of profitable food sources. Extracts of the cephalic labial glands of the salivary system (not the mandibular glands, however) contain a
Seyed Mehdi Razavi et al.
Natural product research, 24(12), 1125-1130 (2009-07-17)
The chemical composition of essential oil obtained by hydrodistillation from the dried fruits of Zosima absinthifolia was analysed by GC-MS. Twenty-four compounds were characterised in the oil. The major components of the oil were octyl acetate (87.48%), octyl octanoate (5.03%)
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