(1R)-(-)-Myrtenal - CAS 18486-69-6

Catalog:	BB014163
Product Name:	(1R)-(-)-Myrtenal
CAS:	18486-69-6
Synonyms:	(1R,5S)-6,6-dimethylbicyclo[3.1.1]hept-2-ene-2-carbaldehyde

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	(1R,5S)-6,6-dimethylbicyclo[3.1.1]hept-2-ene-2-carbaldehyde
Description:	(1R)-(-)-Myrtenal (CAS# 18486-69-6) is used in the synthesis of antiviral adamantanamine and monoterpene fragments.
Molecular Weight:	150.22
Molecular Formula:	C10H14O
Canonical SMILES:	CC1(C2CC=C(C1C2)C=O)C
InChI:	InChI=1S/C10H14O/c1-10(2)8-4-3-7(6-11)9(10)5-8/h3,6,8-9H,4-5H2,1-2H3/t8-,9-/m0/s1
InChI Key:	KMRMUZKLFIEVAO-IUCAKERBSA-N
Boiling Point:	220-221 °C (lit.)
Density:	0.988 g/mL at 20 °C (lit.)
LogP:	2.17770

Publication Number	Title	Priority Date
CN-110885346-A	Chiral binuclear cationic platinum complex and preparation method thereof	20191209
CN-108912180-A	(-) -2- (4 ', 5 '-firpene pyridyl group -2 ') pyrazine nitrine cobalt (III) complex and preparation method	20181011
CN-109081854-A	(-) -2- (4 '-pyridyl group) -4,5- firpene-pyridine hexafluoroacetylacetone manganese complex and preparation method	20181011
CN-109096248-A	(-) -2- (4 '-pyridyl group) -4,5- firpene-pyridine chiral cobalt (II) complex and preparation method thereof	20181011
CN-109096248-B	(-) -2- (4' -pyridyl) -4, 5-pinene-pyridine chiral cobalt (II) complex and preparation method thereof	20181011

PMID	Publication Date	Title	Journal
23025190	20120901	Toxicity of Zanthoxylum piperitum and Zanthoxylum armatum oil constituents and related compounds to Stomoxys calcitrans (Diptera: Muscidae)	Journal of medical entomology
21560753	20110401	Myrtenal, a controversial molecule for the proper application of the CIP Sequence Rule for multiple bonds	Natural product communications
20457457	20100701	Absolute configuration of (-)-myrtenal by vibrational circular dichroism	Phytochemistry
17137353	20061208	New synthetic routes toward enantiopure nitrogen donor ligands	The Journal of organic chemistry
16678477	20061101	Signal separation and determination of the enantiomeric purity of primary amines with (-)-myrtenal--a 13C NMR study	Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P264, P280, P302+P352, P321, P332+P313, and P362
Signal Word:	Warning

Complexity:	225
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	2
Defined Bond Stereocenter Count:	0
Exact Mass:	150.104465066
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	150.104465066
Rotatable Bond Count:	1
Topological Polar Surface Area:	17.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.1