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About This Item
Empirical Formula (Hill Notation):
C12H20O2
CAS Number:
Molecular Weight:
196.29
UNSPSC Code:
85151701
NACRES:
NA.24
PubChem Substance ID:
EC Number:
201-265-7
Beilstein/REAXYS Number:
3198769
MDL number:
grade
analytical standard
Quality Segment
assay
≤15% (γ-isomer, GC), ≥85% (α-isomer, GC), ≥90.0% (sum of isomers, GC)
shelf life
limited shelf life, expiry date on the label
impurities
≤0.3% water
refractive index
n20/D 1.464-1.467, n20/D 1.465 (lit.)
bp
220 °C (lit.)
density
0.953 g/mL at 25 °C (lit.)
application(s)
cleaning products
cosmetics
flavors and fragrances
food and beverages
personal care
format
neat
SMILES string
CC(=O)OC(C)(C)C1CCC(C)=CC1
InChI
1S/C12H20O2/c1-9-5-7-11(8-6-9)12(3,4)14-10(2)13/h5,11H,6-8H2,1-4H3
InChI key
IGODOXYLBBXFDW-UHFFFAOYSA-N
hcodes
pcodes
Hazard Classifications
Aquatic Chronic 2
Storage Class
10 - Combustible liquids
wgk
WGK 2
flash_point_f
212.0 °F - closed cup
flash_point_c
100 °C - closed cup
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