trans-alpha-Ambrinol

trans-alpha-Ambrinol
Compound Structure:
Synonyms: trans-.alpha.-ambrinol
Compound ID: NMPC-060
PubChem ID:

91748735

Molecular Formula: C13H22O
Canonical SMILES: CC1(CCC=C2C1CCC(C2)(C)O)C
InChIKey: GPVOTKFXWGURGP-GLGOKHISSA-N
About the compound:

Trans-alpha-Ambrinol is an organic compound related to odorant molecules that evoke the scent of ambergris, a substance historically used in perfumery, derived from the digestive system of sperm whales. This molecule has a tricyclic structure, with "trans" indicating a specific geometric isomerism and "alpha" representing a particular positional isomer. As a molecule associated with ambergris, trans-alpha-Ambrinol likely possesses aromatic properties, capturing the unique, musky, and marine-like odor of ambergris. While ambergris is a natural substance, molecules like trans-alpha-Ambrinol are often synthesized in the laboratory due to the rarity and expense of natural ambergris. In the fragrance industry, trans-alpha-Ambrinol is used in perfumery, particularly in high-end or niche fragrances, to provide a distinct, marine, musky note reminiscent of natural ambergris. Due to its potent aroma, it is used sparingly to enhance the depth and longevity of perfume compositions.

Properties:

Chemical and Physical Properties

Property Name

Property Value

Molecular Weight

194.31 g/mol

XLogP3-AA

2.8

Hydrogen Bond Donor Count

1

Hydrogen Bond Acceptor Count

1

Rotatable Bond Count

0

Exact Mass

194.167065321 g/mol

Monoisotopic Mass

194.167065321 g/mol

Topological Polar Surface Area

20.2Ų

Heavy Atom Count

14

Formal Charge

0

Complexity

264

Isotope Atom Count

0

Defined Atom Stereocenter Count

1

Undefined Atom Stereocenter Count

1

Defined Bond Stereocenter Count

0

Undefined Bond Stereocenter Count

0

Covalently-Bonded Unit Count

1

Source: PubChem

Source Species: Mucuna pruriens
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