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About This Item
Linear Formula:
CH3COCH2CH2CO2(CH2)3CH3
CAS Number:
Molecular Weight:
172.22
FEMA Number:
2207
Council of Europe no.:
374
UNSPSC Code:
12164502
PubChem Substance ID:
EC Number:
218-143-4
Flavis number:
9.436
MDL number:
SMILES string
CCCCOC(=O)CCC(C)=O
InChI
1S/C9H16O3/c1-3-4-7-12-9(11)6-5-8(2)10/h3-7H2,1-2H3
InChI key
ISBWNEKJSSLXOD-UHFFFAOYSA-N
biological source
synthetic
reg. compliance
FDA 21 CFR 172.515
assay
≥97%
refractive index
n20/D 1.427 (lit.)
bp
106-108 °C/5.5 mmHg (lit.)
density
0.974 g/mL at 25 °C (lit.)
application(s)
flavors and fragrances
organoleptic
fruity
signalword
Warning
hcodes
Hazard Classifications
Eye Irrit. 2 - Skin Irrit. 2
Storage Class
10 - Combustible liquids
wgk
WGK 2
flash_point_f
230.0 °F - closed cup
flash_point_c
110 °C - closed cup
ppe
Eyeshields, Gloves, multi-purpose combination respirator cartridge (US)
Regulatory Information
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