Farnesal, mixture of isomers - CAS 19317-11-4
Catalog: |
BB014930 |
Product Name: |
Farnesal, mixture of isomers |
CAS: |
19317-11-4 |
Synonyms: |
(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienal |
IUPAC Name: | (2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienal |
Description: | Farnesal, mixture of isomers (CAS# 19317-11-4) is s useful building block for organic synthesis. |
Molecular Weight: | 220.35 |
Molecular Formula: | C15H24O |
Canonical SMILES: | CC(=CCCC(=CCCC(=CC=O)C)C)C |
InChI: | InChI=1S/C15H24O/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16/h7,9,11-12H,5-6,8,10H2,1-4H3/b14-9+,15-11+ |
InChI Key: | YHRUHBBTQZKMEX-YFVJMOTDSA-N |
Boiling Point: | 328.6 °C at 760 mmHg |
Flash Point: | 147.8°C |
Purity: | ≥ 85 % |
Density: | 0.909 g/mL at 25 °C (lit.) |
Appearance: | Clear liquid |
MDL: | MFCD00038089 |
LogP: | 4.60450 |
Refractive Index: | n20/D >1.4920(lit.) |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P272, P280, P302+P352, P321, P332+P313, P333+P313, P362, P363, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
26795242 | 20160401 | SENS-IS, a 3D reconstituted epidermis based model for quantifying chemical sensitization potency: Reproducibility and predictivity results from an inter-laboratory study | Toxicology in vitro : an international journal published in association with BIBRA |
22829564 | 20121001 | Naphthyl groups in chiral recognition: structures of salts and esters of 2-methoxy-2-naphthylpropanoic acids | Chemistry, an Asian journal |
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22506594 | 20120427 | Selective inhibition of human type-5 17β-hydroxysteroid dehydrogenase (AKR1C3) by baccharin, a component of Brazilian propolis | Journal of natural products |
22162874 | 20120301 | Identification, functional characterization, and regulation of the enzyme responsible for floral (E)-nerolidol biosynthesis in kiwifruit (Actinidia chinensis) | Journal of experimental botany |
Complexity: | 289 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 2 |
Exact Mass: | 220.182715385 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 220.182715385 |
Rotatable Bond Count: | 7 |
Topological Polar Surface Area: | 17.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.9 |
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