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About This Item
Linear Formula:
(CH3)2CHCH2COOCH2CH(CH3)2
CAS Number:
Molecular Weight:
158.24
Flavis number:
9.449
PubChem Substance ID:
UNSPSC Code:
12164502
FEMA Number:
2218
EC Number:
209-653-8
MDL number:
Beilstein/REAXYS Number:
1702649
InChI key
KEBDNKNVCHQIJU-UHFFFAOYSA-N
InChI
1S/C9H18O2/c1-7(2)5-9(10)11-6-8(3)4/h7-8H,5-6H2,1-4H3
SMILES string
CC(C)COC(=O)CC(C)C
grade
natural
reg. compliance
FDA 21 CFR 172.515
density
0.853 g/mL at 20 °C (lit.)
application(s)
flavors and fragrances
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signalword
Warning
hcodes
Hazard Classifications
Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
target_organs
Respiratory system
Storage Class
10 - Combustible liquids
wgk
WGK 2
flash_point_f
143.6 °F - closed cup
flash_point_c
62 °C - closed cup
ppe
Eyeshields, Gloves, type ABEK (EN14387) respirator filter
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