trans-2-Methylcyclopentanol - CAS 25144-04-1
Catalog:
BB018760
Product Name:
trans-2-Methylcyclopentanol
CAS:
25144-04-1
Synonyms:
trans-2-Methylcyclopentan-1-ol; (E)-2-methylcyclopentanol
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BB018760
5 g
$999
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IUPAC Name: (1R,2R)-2-methylcyclopentan-1-ol
Description: trans-2-Methylcyclopentanol is a biochemical used in the production of fragrances and flavors, with a fruity odor.
Molecular Weight: 100.16
Molecular Formula: C6H12O
Canonical SMILES: CC1CCCC1O
InChI: InChI=1S/C6H12O/c1-5-3-2-4-6(5)7/h5-7H,2-4H2,1H3/t5-,6-/m1/s1
InChI Key: BVIJQMCYYASIFP-PHDIDXHHSA-N
Boiling Point: 150-151 °C / 740 mmHg (lit.)
Purity: 95%
Density: 0.92 g/mL at 25 °C (lit.)
Appearance: Colorless clear liquid
MDL: MFCD00001366
LogP: 1.16730
GHS Hazard Statement: H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
Precautionary Statement: P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501
Signal Word: Warning
Publication Number Title Priority Date
US-2020190093-A1 Substituted xanthine derivatives 20181212
WO-2020120450-A1 Substituted xanthine derivatives 20181212
TW-202039495-A Novel substituted xanthine derivatives 20181212
CN-113166151-A Substituted xanthine derivatives 20181212
EP-3894410-A1 Substituted xanthine derivatives 20181212
PMID Publication Date Title Journal
19146449 20090220 Stereochemistry of the C-S bond cleavage in cis-2-methylcyclopentyl phenyl sulfoxide radical cation The Journal of organic chemistry
Complexity: 61.2
Compound Is Canonicalized: Yes
Covalently-Bonded Unit Count: 1
Defined Atom Stereocenter Count: 2
Defined Bond Stereocenter Count: 0
Exact Mass: 100.088815002
Formal Charge: 0
Heavy Atom Count: 7
Hydrogen Bond Acceptor Count: 1
Hydrogen Bond Donor Count: 1
Isotope Atom Count: 0
Monoisotopic Mass: 100.088815002
Rotatable Bond Count: 0
Topological Polar Surface Area: 20.2 Å2
Undefined Atom Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
XLogP3: 1.2
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