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About This Item
Empirical Formula (Hill Notation):
C9H16O2
CAS Number:
Molecular Weight:
156.22
Flavis number:
10.014
FEMA Number:
3356
UNSPSC Code:
12164502
PubChem Substance ID:
EC Number:
221-974-5
NACRES:
NA.21
MDL number:
Quality Level
grade
FG, Fragrance grade, natural
agency
follows IFRA guidelines
reg. compliance
EU Regulation 1223/2009, EU Regulation 1334/2008 & 178/2002
assay
98%
refractive index
n20/D 1.455 (lit.)
bp
115-116 °C/2 mmHg (lit.)
density
0.893 g/mL at 25 °C (lit.)
application(s)
flavors and fragrances
documentation
see Safety & Documentation for available documents
food allergen
no known allergens
fragrance allergen
no known allergens
organoleptic
coconut; coumarin; creamy; buttery; sweet; whiskey
SMILES string
CCCCC1CCCC(=O)O1
InChI
1S/C9H16O2/c1-2-3-5-8-6-4-7-9(10)11-8/h8H,2-7H2,1H3
InChI key
PXRBWNLUQYZAAX-UHFFFAOYSA-N
Application
Suggested uses are in curry, nut, tomato, tropical, caramel and dairy flavors. In fragrance applications, this compound delivers apricot, butter, grape, passion fruit, plum, tea green and tobacco notes.
Other Notes
Natural occurrence: Butter, milk, chicken fat, grilled beef, pork fat, and white wine.
Storage Class
10 - Combustible liquids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
Regulatory Information
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Raw Material Bulletin
Perfumer & Flavorist, 39(3), 19-19 (2014)