UCSF

ZINC03831031

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2005 11 Yes

Popular Name: DL-Menthol DL-Menthol

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1490-04-6 , 15356-60-2 , 15356-70-4 , 2216-51-5 , 2216-52-6 , 3623-52-7 , 89-78-1 , 89-83-8 , [1490-04-6] , [2216-51-5] , [491-02-1] , [89-78-1]

Other Names:

"DL-Menthol, 99%"

(+)-MENTHOL

(+)-Neo-menthol; (+)-p-Menthan-3-ol; Cyclohexanol, 5-methyl-2-propyl-, (1S-(1-alpha,2-alpha,5-beta))-; LS-89531; Menthol, (+)-neo-; d-Neomenthol

(+)-Neoisomenthol

(+)-neoisomenthol; CPD-4945

(+)-Neoisomenthol;(1R,3R,4R)-form;p-Menthan-3-ol

(+)-neomenthol

(+-)-Isomenthol; (1)-Isomenthol; BRN 3194262; Cyclohexanol, 5-methyl-2-(1-methylethyl)-, (1-alpha,2-beta,5-beta)-(+-)-; Cyclohexanol, 5-methyl-2-(1-methylethyl)-, (1R,2S,5S)-rel-; Cyclohexanol, 5-methyl-2-(1-methylethyl)-, (1alpha,2beta,5beta)-(+/-)-; EIN

(+-)-menthol; (1S,2R,5S)-(+)-menthol; (DL)-5-methyl-2-(1-methylethyl)cyclohexanol; 1-methyl-4-isopropyl-3-hydroxycyclohexane; 2-isopropyl-5-methylcyclohexanol; 3-p-menthol; 4-isopropyl-1-methylcyclohexan-3-ol; 5-methyl-2-(1-methylethyl)cyclohexanol (1alph

(+-)-Neomenthol; (1)-Neomenthol; Cyclohexanol, 5-methyl-2-(1-methylethyl)-, (1-alpha,2-alpha,5-beta)-(+-)-; Cyclohexanol, 5-methyl-2-(1-methylethyl)-, (1R,2R,5S)-rel-; Cyclohexanol, 5-methyl-2-(1-methylethyl)-, (1alpha,2alpha,5beta)-(+/-)-; EINECS 207-723

(+/-)-2-Isopropyl-5-methylcyclohexanol

(+/-)-Menthol

(+/-)-Menthol [15356-70-4]

(+/-)-MENTHOL; [15356-70-4]

(1alpha,2alpha,5alpha)-5-methyl-2-(1-methylethyl)cyclohexanol; cis-1,3,cis-1,4-menthol; iso-neomenthol

(^+)-2-Isopropyl-5-methylcyclohexanol

(±)-2-Isopropyl-5-methylcyclohexanol

1-Methyl-4-isopropyl-3-hydroxycyclohexane;2-Isopropyl-5-methylcyclohexanol;3-Hydroxy-p-menthane;3-p-Menthanol;3-p-Menthol;4-Isopropyl-1-methylcyclohexan-3-ol;5-Methyl-2-(1-methylethyl)-Cyclohexanol;5-Methyl-2-(1-methylethyl)-cyclohexanol;5-Methyl-2-(1-met

1490-04-6; D04918; Fisherman's friend lozenges (TN); Menthol (USP)

2-Isopropyl-5-methylcyclohexanol

2-Isopropyl-5-methylcyclohexanol; 5-Methyl-2-(1-methylethyl)cyclohexanol; AI3-08161; C10H20O; CCRIS 9231; Caswell No. 540; Cyclohexanol, 5-methyl-2-(1-methylethyl)-; DL-Menthol; Dermoplast; EINECS 216-074-4; EPA Pesticide Chemical Code 051601; LS-57201; M

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

89-78-1; D04849; dl-Menthol (JP16)

Dl-isomenthol

Dl-Menthol (JAN); Menthol (FDA

DL-Menthol, 98+%

L-Menthol

MENTHOL

menthols

MFCD00001484

MFCD00062979

MFCD01941448

Neoisomenthol

p-Menthan-3-ol

rel-(1R,2R,5R)-5-methyl-2-(propan-2-yl)cyclohexan-1-ol

ThyMol

USP)

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) 3.34 4.28 -1.21 1 1 0 20 156.269 1 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 212-216? Alfa-Aesar
Boiling_Point 212-216° Alfa-Aesar
Melting_Point 33-36? Alfa-Aesar
Melting_Point 33-36° Alfa-Aesar
MP 34-36 °C(lit.) Indofine
Purity 95% Fluorochem
PUBCHEM_PATENT_ID EP0211030A1; EP0211030B1; EP0242778A1; EP0269987A2; EP0269987B1; EP0302424A1; EP0302424B1; EP0321853A1; EP0321853B1; EP0932084A1; EP0980028A1; EP0987123A2; EP1041447A1; EP1041448A1; US4033994; US4058571; US4059118; US4060091; US4136163; US4150052; US41573 IBM Patent Data
Target Glutathione S-transferase P(P09211)&72 kDa type IV collagenase(P08253) Herbal Ingredients Targets
Patent Database Links WO2007115593; WO2008116321 ChEBI

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

No pre-computed analogs available. Try a structural similarity search.