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Substance Name: Geosmin
RN: 19700-21-1
UNII: MYW912WXJ4
InChIKey: JLPUXFOGCDVKGO-TUAOUCFPSA-N

Note

  • Earthy smelling cpd from sediment in Lake Biwa.

Classification Code

  • Mutation Data

Molecular Formula

  • C12-H22-O

Molecular Weight

  • 182.305
 
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Names and Synonyms

Name of Substance

  • Geosmin

Synonyms

  • EINECS 243-239-8
  • Geosmin
  • Octahydro-4alpha,8abeta-dimethyl-4aalpha(2H)-naphthol
  • UNII-MYW912WXJ4

Systematic Names

  • (4S-(4alpha,4aalpha,8abeta))-Octahydro-4,8a-dimethyl-4a(2H)-naphthol
  • 4a(2H)-Naphthalenol, octahydro-4,8a-dimethyl-, (4S-(4-alpha,4a-alpha,8a-beta))-
  • 4a-alpha-(2H)-Naphthol, octahydro-4-alpha,8a-beta-dimethyl- (8CI)

Registry Numbers

CAS Registry Number

  • 19700-21-1

FDA UNII

  • MYW912WXJ4

System Generated Number

  • 0019700211

Structure Descriptors

InChI

1S/C12H22O/c1-10-6-5-8-11(2)7-3-4-9-12(10,11)13/h10,13H,3-9H2,1-2H3/t10-,11+,12-/m0/s1

InChIKey

JLPUXFOGCDVKGO-TUAOUCFPSA-N

Smiles

C1[C@@]2([C@@](CCC[C@@H]2C)(CCC1)C)O

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 270 deg C   EXP
log P (octanol-water) 3.570 (none)   EST
Water Solubility 157 mg/L 25 EST
Vapor Pressure 2.14E-03 mm Hg 25 EST
Henry's Law Constant 1.18E-05 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.24E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.