7-Hydroxycitronellal - CAS 107-75-5
Catalog: |
BB002125 |
Product Name: |
7-Hydroxycitronellal |
CAS: |
107-75-5 |
Synonyms: |
7-hydroxy-3,7-dimethyloctanal |
IUPAC Name: | 7-hydroxy-3,7-dimethyloctanal |
Description: | 7-Hydroxycitronellal shows fungicide activity the strains of Candida tropicalis. |
Molecular Weight: | 172.26 |
Molecular Formula: | C10H20O2 |
Canonical SMILES: | CC(CCCC(C)(C)O)CC=O |
InChI: | InChI=1S/C10H20O2/c1-9(6-8-11)5-4-7-10(2,3)12/h8-9,12H,4-7H2,1-3H3 |
InChI Key: | WPFVBOQKRVRMJB-UHFFFAOYSA-N |
Boiling Point: | 251.6 °C at 760 mmHg |
Melting Point: | 19 °C |
Flash Point: | 103.8°C |
Purity: | 95 % |
Density: | 0.923 g/cm3 |
Solubility: | slightly |
Appearance: | Clear to light yellow, viscous liquid |
Storage: | Keep container closed when not in use. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. |
MDL: | MFCD00014681 |
LogP: | 2.15270 |
Refractive Index: | 1.446-1.452 |
Stability: | Stable under normal temperatures and pressures. |
GHS Hazard Statement: | H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin] |
Precautionary Statement: | P261, P264, P272, P280, P302+P352, P305+P351+P338, P321, P333+P313, P337+P313, P363, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021156521-A2 | Alcohol-free nanoemulsion perfume | 20210615 |
CN-113265299-A | Watermelon essence and electronic atomized liquid containing same | 20210421 |
CN-113024364-A | Efficient green synthesis method of hydroxycitronellal | 20210331 |
CN-112941967-A | Colored flavor-coated microsphere, preparation method thereof and application thereof in cigar coat | 20210324 |
CN-113005472-A | Method for preparing citronellal epoxide | 20210220 |
PMID | Publication Date | Title | Journal |
31958493 | 20200401 | Mechanistic understanding of dendritic cell activation in skin sensitization: additional evidences to support potency classification | Toxicology letters |
29108680 | 20180301 | Human metabolism and excretion kinetics of the fragrance 7-hydroxycitronellal after a single oral or dermal dosage | International journal of hygiene and environmental health |
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 |
25724174 | 20150601 | Genes specifically modulated in sensitized skins allow the detection of sensitizers in a reconstructed human skin model. Development of the SENS-IS assay | Toxicology in vitro : an international journal published in association with BIBRA |
22606039 | 20120101 | Poisson parameters of antimicrobial activity: a quantitative structure-activity approach | International journal of molecular sciences |
Complexity: | 130 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 172.146329876 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 172.146329876 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 37.3 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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