UCSF

ZINC00967796

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2005 11 Yes

Popular Name: Menthone Menthone

Find On: PubMed — Wikipedia — Google

CAS Numbers: 10458-14-7 , 10458-14-7; 14073-97-3 , 14073-97-3 , 16883-45-7 , 3391-87-5 , 412324-05-1 , 491-07-6 , 89-80-5 , [10458-14-7] , [14073-97-3]

Other Names:

(-)-(1R,4S)-menthone; (-)-menthone; 10458-14-7; 14073-97-3; CPD-1909; l-menthone; p-menthan-3-one

(-)-(1R,4S)-menthone;(-)-(2S,5R)-Menthone;(-)-5-Methyl-2-(1-methylethyl)cyclohexanone;(-)-Menthone;(1R,4S)-(-)-p-Menthan-3-one;(1R,4S)-p-Menthan-3-one;(2S, 5R)-trans-2-isopropyl-5-methylcyclohexanone;(2S,5R)-2-Isopropyl-5-methylcyclohexanone;(2S,5R)-5-met

(-)-(2S,5R)-Menthone; (-)-5-Methyl-2-(1-methylethyl)cyclohexanone; (-)-menthone; (1R,4S)-p-menthan-3-one; (2S,5R)-2-isopropyl-5-methylcyclohexanone; (2S,5R)-5-methyl-2-(1-methylethyl)cyclohexanone; (2S,5R)-5-methyl-2-(propan-2-yl)cyclohexanone; (2S-trans)

(-)-Menthone

(-)-Menthone [14073-97-3]; (p-Menthan-3-one)

(-)-Menthone; (2R,5S)-rel-5-methyl-2-(1-methylethyl)cyclohexanone; l-Menthone; menthone; p-Menthan-3-one; rel-(1R,4S)-p-menthan-3-one; rel-(2R,5S)-2-isopropyl-5-methylcyclohexanone; trans-5-methyl-2-(1-methylethyl)cyclohexanone; trans-menthan-3-one; trans

(-)-Menthone; 14073-97-3; C00843; l-Menthone; p-Menthan-3-one

(-)-MENTHONE; [14073-97-3]

(1)-Isomenthone; 1-Methyl-4-isopropyl-3-cyclohexanone, cis-; 2-Isopropyl-5-methyl-cyclohexanone; 5-Methyl-2-(1-methylethyl)cyclohexanone; BRN 3195564; Cyclohexanone, 5-methyl-2-(1-methylethyl)-, (2R,5R)-rel-; Cyclohexanone, 5-methyl-2-(1-methylethyl)-, (Z

(1R,4S)-(-)-p-Menthan-3-One

(1R,4S)-p-menthan-3-one; (2S,5R)-2-isopropyl-5-methylcyclohexanone; (2S,5R)-5-methyl-2-(1-methylethyl)cyclohexanone; (2S,5R)-menthone; (2S-trans)-5-methyl-2-(1-methylethyl)cyclohexanone; l-menthone

(2S,5R)-2-Isopropyl-5-methylcyclohexanone

(2S,5R)-5-methyl-2-propan-2-ylcyclohexan-1-one

(dl)-Menthone; 5-Methyl-2-(1-methylethyl)cyclohexanone, trans-; AI3-11106; CCRIS 5747; Cyclohexan-1-one, 2-isopropyl-5-methyl-, racemic; Cyclohexanone, 5-methyl-2-(1-methylethyl)-, (2R,5S)-rel-; Cyclohexanone, 5-methyl-2-(1-methylethyl)-, trans-; Cyclohex

(R)-Menthone

1-Cyclohexen-1-ol, 3-methyl-6-(1-methylethyl)- (9CI)

2-Isopropyl-5-methylcyclohexanone

2-isopropyl-5-methylcyclohexanone;5-methyl-2-(1-methylethyl)cyclohexanone;5-methyl-2-(isopropyl)cyclohexanone;5-methyl-2-propan-2-ylcyclohexan-1-one;p-menthan-3-one;p-Menthan-3-one, dl-

299

5-methyl-2-(propan-2-yl)cyclohexanone

l-Menthone

CHEBI:10780; CHEBI:18494; CHEBI:102

CHEBI:25188; CHEBI:36497

Cyclohexanone,5-methyl-2-(1-methylethyl)-,(2R,5S)-

ISOMENTHONE

L-Menthone

l-Menthone, 85%

L-Menthone, 97%

LS-89510

Menthone, 98%, mixture of isomers

Menthone, 99%+

Menthone, mixture of isomers

Menthone, mixture of isomers, 98%

MFCD00001634

MFCD00011778

MFCD00062998

p-menthan-3-one

Tetramethylammonium borohydride

Tetramethylammonium borohydride, 95%

Tetramethylammonium tetrahydridoborate

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.15 6.43 -3.95 0 1 0 17 154.253 1 ↓

Vendor Notes

Note Type Comments Provided By
Molecular_Solubility 2.318 Bitter DB
Mp [°C] 6 Acros Organics
MP 6 °C Indofine
BP [°C] 207 Acros Organics
BP [°C] 207 - 210 Acros Organics
Boiling_Point 208-210? Alfa-Aesar
Boiling_Point 208-210° Alfa-Aesar
BP 88 / 15 TCI
Purity 95% Fluorochem
Melting_Point >250? dec. Alfa-Aesar
Melting_Point >250° dec. Alfa-Aesar
Boiling_Point ca 207? Alfa-Aesar
Boiling_Point ca 207° Alfa-Aesar
H phrase H412: Harmful to aquatic life with long lasting effects Acros Organics
UniProt Database Links MNR1_CAPAN; PULR_MENPI; SDR1_ARATH ChEBI
Target NF-kappa-B inhibitor alpha(P25963)&Transcription factor p65(Q04206)&Prostaglandin G/H synthase 2(P35354) Herbal Ingredients Targets
P phrase P273: Avoid release to the environment Acros Organics
R phrase R52/53: Harmful to aquatic organisms, may cause long-term adverse effects in the aquatic environment. Acros Organics

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Analogs ( Draw Identity 99% 90% 80% 70% )