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About This Item
Empirical Formula (Hill Notation):
C8H12N2O
CAS Number:
Molecular Weight:
152.19
FEMA Number:
3358
UNSPSC Code:
12164502
PubChem Substance ID:
Flavis number:
14.057
EC Number:
247-256-1
NACRES:
NA.21
MDL number:
Organoleptic:
green; nutty; earthy; pea
Grade:
FG
Biological source:
synthetic
Food allergen:
no known allergens
biological source
synthetic
Quality Segment
grade
FG
reg. compliance
EU Regulation 1334/2008 & 178/2002, FDA 21 CFR 110
assay
99%
refractive index
n20/D 1.494 (lit.), n20/D 1.495
density
0.996 g/mL at 25 °C (lit.)
application(s)
flavors and fragrances
documentation
see Safety & Documentation for available documents
food allergen
no known allergens
organoleptic
green; nutty; earthy; pea
SMILES string
COc1nccnc1C(C)C
InChI
1S/C8H12N2O/c1-6(2)7-8(11-3)10-5-4-9-7/h4-6H,1-3H3
InChI key
NTOPKICPEQUPPH-UHFFFAOYSA-N
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signalword
Warning
hcodes
Hazard Classifications
Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
Storage Class
10 - Combustible liquids
wgk
WGK 3
flash_point_f
152.6 °F - closed cup
flash_point_c
67 °C - closed cup
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