Dihydrocapsaicin

Dihydrocapsaicin
Compound Structure:
Synonyms: 6,7-Dihydrocapsaicin; 8-Methyl-N-vanillylnonanamide; 8-methyl dihydrocapsaicin; CAPSAICIN, DIHYDRO-; dihydro capsaicin; Dihydrocapsacine; Dihydrocapsaicin; N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methylnonanamide
Compound ID: NMPC-966
PubChem ID:

107982
Molecular Formula: C18H29NO3
Canonical SMILES: C18H29NO3
InChIKey: XJQPQKLURWNAAH-UHFFFAOYSA-N
About the compound:

Dihydrocapsaicin is a capsaicinoid and analog and congener of capsaicin in chili peppers (Capsicum). Like capsaicin, it is an irritant. It accounts for about 22% of the total capsaicinoidmixture[and has the same pungency as capsaicin.Puredihydrocapsaicin is a lipophilic colorless odorless crystalline to waxy compound. It is soluble in dimethyl sulfoxide and 100% ethanol.

GHS Hazard Statements

• H301 (97.5%): Toxic if swallowed [Danger Acute toxicity, oral]

• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

• H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Properties:

Chemical and Physical Properties

Property Name

Property Value

Molecular Weight

307.4 g/mol

XLogP3-AA

4.4

Hydrogen Bond Donor Count

2

Hydrogen Bond Acceptor Count

3

Rotatable Bond Count

10

Exact Mass

307.21474379 g/mol

Monoisotopic Mass

307.21474379 g/mol

Topological Polar Surface Area

58.6Ų

Heavy Atom Count

22

Formal Charge

0

Complexity

307

Isotope Atom Count

0

Defined Atom Stereocenter Count

0

Undefined Atom Stereocenter Count

0

Defined Bond Stereocenter Count

0

Undefined Bond Stereocenter Count

0

Covalently-Bonded Unit Count

1

Compound Is Canonicalized

Yes

Physical Description

Solid

Melting Point

65.5 - 65.8 °C

Source: PubChem
Source Species: Pennisetum purpureum
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