2,6,6-Trimethyl-1-cyclohexene-1-acetaldehyde - CAS 472-66-2
Catalog: |
BB026243 |
Product Name: |
2,6,6-Trimethyl-1-cyclohexene-1-acetaldehyde |
CAS: |
472-66-2 |
Synonyms: |
2-(2,6,6-trimethylcyclohexen-1-yl)acetaldehyde |
IUPAC Name: | 2-(2,6,6-trimethylcyclohexen-1-yl)acetaldehyde |
Description: | 2,6,6-Trimethyl-1-cyclohexene-1-acetaldehyde (CAS# 472-66-2) is a useful research chemical. |
Molecular Weight: | 166.26 |
Molecular Formula: | C11H18O |
Canonical SMILES: | CC1=C(C(CCC1)(C)C)CC=O |
InChI: | InChI=1S/C11H18O/c1-9-5-4-7-11(2,3)10(9)6-8-12/h8H,4-7H2,1-3H3 |
InChI Key: | VHTFHZGAMYUZEP-UHFFFAOYSA-N |
Boiling Point: | 58-59 °C (0.4 mmHg) |
Flash Point: | 88°C |
Purity: | 95 % |
Density: | 0.941 g/cm3 |
Solubility: | water, 28.31 mg/L @ 25 °C (est) |
Appearance: | Colorless to yellow clear liquid (est) |
MDL: | MFCD00012057 |
LogP: | 3.10200 |
Refractive Index: | 1.485 |
GHS Hazard Statement: | H302 (97.29%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P317, P330, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112876898-A | Environment-friendly colorant for indoor design and preparation method thereof | 20210115 |
JP-2021073195-A | Composition with stable taste and odor | 20201228 |
CN-111938125-A | Multipurpose colorless black tea essence | 20200831 |
KR-20200047465-A | Functional cosmetic composition having uv protection with spf 40 or more and moisturizing effect with 144 hour or more | 20200415 |
EP-3858155-A1 | A sweetener or sweetness enhancer composition | 20200130 |
Complexity: | 211 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 166.135765193 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 166.135765193 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 17.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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