(R)-(+)-Citronellal - CAS 2385-77-5
Catalog: |
BB018209 |
Product Name: |
(R)-(+)-Citronellal |
CAS: |
2385-77-5 |
Synonyms: |
(3R)-3,7-dimethyloct-6-enal |
IUPAC Name: | (3R)-3,7-dimethyloct-6-enal |
Description: | (R)-(+)-Citronellal (CAS# 2385-77-5) is a monoterpene compound that is formed by the metabolism of plants. (+)-Citronellal is a natural insect repellant, and is the main component of citronellal oil. (+)-Citronellal is also used as a starting material in the one pot synthesis of (-)-Menthol (M218875). |
Molecular Weight: | 154.25 |
Molecular Formula: | C10H18O |
Canonical SMILES: | CC(CCC=C(C)C)CC=O |
InChI: | InChI=1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5,8,10H,4,6-7H2,1-3H3/t10-/m1/s1 |
InChI Key: | NEHNMFOYXAPHSD-SNVBAGLBSA-N |
Boiling Point: | 207 °C |
Melting Point: | < 25 °C |
Purity: | > 95.0 % (GC) |
Density: | 0.851 g/mL at 25 °C(lit.) |
Solubility: | 38.94 mg/L at 25 °C (est) |
Appearance: | Clear colorless liquid |
Storage: | 2-8 °C |
MDL: | MFCD00067089 |
LogP: | 2.95790 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P333+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113481175-A | Ethylenic bond reductase mutant with improved activity and stereoselectivity as well as encoding gene and application thereof | 20210617 |
CN-113337450-A | Escherichia coli genetic engineering bacterium, construction method and method for producing (R) -citronellal through whole-cell catalysis | 20210425 |
CN-113004111-A | Method for synthesizing (R) -psylla chinensis sex pheromone | 20210208 |
CN-112570028-A | Asymmetric hydrogenation catalyst and method for preparing R-citronellal by catalyzing citral with asymmetric hydrogenation catalyst | 20201123 |
CN-112662709-A | Method for synthesizing (R) -citronellol by double-enzyme coupling | 20201104 |
PMID | Publication Date | Title | Journal |
25218989 | 20141105 | Antioxidant and antidepressant-like activities of semi-synthetic α-phenylseleno citronellal | European journal of pharmacology |
22945026 | 20120903 | Fumigant antifungal activity of Myrtaceae essential oils and constituents from Leptospermum petersonii against three Aspergillus species | Molecules (Basel, Switzerland) |
22461383 | 20120801 | Quantitative structure-activity relationships of monoterpenoid binding activities to the housefly GABA receptor | Pest management science |
21674753 | 20111201 | Fumigant toxicity of lemon eucalyptus oil constituents to acaricide-susceptible and acaricide-resistant Tetranychus urticae | Pest management science |
21819085 | 20110928 | Repellent constituents of essential oil of Cymbopogon distans aerial parts against two stored-product insects | Journal of agricultural and food chemistry |
Complexity: | 132 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 154.135765193 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 154.135765193 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 17.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3 |
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