Beta-cyclocitral

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Catalog Number
ACM432257
Product Name
Beta-cyclocitral
Structure
Structure
CAS
432-25-7
Category
Heterocyclic Organic Compound
Synonyms
1-Formyl-2,6,6-trimethyl-1-cyclohexene
IUPAC Name
2,6,6-Trimethylcyclohexene-1-carbaldehyde
Molecular Weight
152.23
Molecular Formula
C10H16O
Canonical SMILES
CC1=C(C(CCC1)(C)C)C=O
InChI
InChI=1S/C10H16O/c1-8-5-4-6-10(2,3)9(8)7-11/h7H,4-6H2,1-3H3
InChI Key
MOQGCGNUWBPGTQ-UHFFFAOYSA-N
Boiling Point
62-63 °C
Melting Point
62-63°C
Flash Point
>230 °F
Density
0.943 g/mL at 25 °C(lit.)
Solubility
water, 86.14 mg/L @ 25 °C (est)
Appearance
Colorless to pale yellow clear liquid (est)
Assay
0.9999
EC Number
207-081-3
Exact Mass
152.12011513
Hazard Statements
Xn: Harmful;
H-Bond Acceptor
1
H-Bond Donor
0
MDL Number
MFCD00079078
Monoisotopic Mass
152.12011513
Packaging
1 kg
Packing Group
III
Physical State
Oil
Refractive Index
n20/D 1.497(lit.)
Safety Description
26-36
Storage Conditions
Inert atmosphere,under -20 °C
Topological Polar Surface Area
17.1 Ų
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