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Quick Search ZINC ID or SMILES

Synonyms (259)
Vendors (46)
Annotations (35)
Representations (1)
Notes (31)
Targets (0)
Clustered (0)
Reactome (0)
Rings (0)
Analogs (37)

ZINC01482164

1482164

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since	Heavy atoms	Benign functionality
August 19^th, 2004	11	Yes

Popular Name: L-Menthol L-Menthol

Find On: PubMed — Wikipedia — Google

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

Other Names:

"DL-Menthol, 99%"

"L-Menthol, 99.5%"

(+)-Neo-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

(+)-p-Menthan-3-ol

(+-)-(1R*,3R*,4S*)-Menthol

(+-)-(1R*,3R*,4S*)-Menthol; (+-)-Menthol; 5-Methyl-2-(1-methylethyl)cyclohexanol, (1alpha,2beta,5alpha)-; 5-methyl-2-(1-methylethyl)cyclohexanol; BRN 1902288; BRN 3194263; C10H20O; CCRIS 375; CCRIS 4666; Cyclohexanol, 5-methyl-2-(1-methylethyl)-, (1R,2S,5

(+-)-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

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

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

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

(+/-)-p-Menthan-3-ol

(-)-(1R,3R,4S)-Menthol

(-)-(1R,3R,4S)-Menthol; (-)-Menthol; (-)-Menthyl alcohol; (-)-trans-p-Menthan-cis-ol; (1R)-(-)-Menthol; (1R,2S,5R)-2-isopropyl-5-methylcyclohexanol; (1R,2S,5R)-5-methyl-2-(1-methylethyl)cyclohexanol; (1R-(1-alpha,2-beta,5-alpha))-5-Methyl-2-(1-methylethyl

(-)-(1R,3R,4S)-menthol; (-)-menthol; (1R,3R,4S)-(-)-menthol; (1R-(1-alpha,2-beta,5-alpha))-5-methyl-2-(1-methylethyl)cyclohexanol; l-menthol

(-)-(1R,3R,4S)-Menthol;(-)-Menthyl alcohol;(-)-trans-p-Menthan-cis-ol;(1R)-(-)-Menthol;(1R,2S,5R)-(-)-menthol;(R)-(-)-Menthol;1-Menthol;2-Isopropyl-5-methylcyclohexanol;5-Methyl-2-(1-methylethyl)cyclohexanol;5-methyl-2-propan-2-ylcyclohexan-1-ol;D-(-)-Men

(-)-menthol; --MENTHOL; 2216-51-5

(-)-Menthol; 2216-51-5; C00400; L-Menthol

(-)-Menthyl alcohol

(-)-p-Menthan-3-ol

(-)-trans-p-Menthan-cis-ol

(1R)-(-)-Menthol

(1r,2s,5r)-(-)-menthol

(1R,2S,5R)-(_)-Menthol

(1R,2S,5R)-2-Isopropyl-5-methylcyclohexanol

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

(1R,2S,5R)-Menthol

(1R,2S,5R)-rel-2-Isopropyl-5-methylcyclohexanol

(1R,3R,4S)-(-)-MENTHOL

(1S, 2S, 5R)-(+)-Neomenthol

(1S,2R,5R)-(+)-Isomenthol

(1S,2R,5S)-(+)-Menthol

(1S,2R,5S)-Menthol

(r)-(-)-menthol

(^+)-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

2216-51-5; D00064; Levomenthol; l-Menthol (JP16); l-Menthol (TN)

4-Isopropyl-1-methylcyclohexan-3-ol

5-Methyl-2-(1-methylethyl)-cyclohexanol

5-Methyl-2-(1-methylethyl)cyclohexanol

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

5-methyl-2-propan-2-ylcyclohexan-1-ol

6C6A4A8C-A054-468C-A1F0-F29E39838CF2

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

Caswell No. 540

CHEBI:10779; CHEBI:18493; CHEBI:101

cis-1 ,3-trans-1,4-(+-)-menthol

cis-1,3-trans-1,4-(+-)-menthol

Cyclohexanol, 2-isopropyl-5-methyl-

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

D-p-Menthan-3-ol

dl-3-p-Menthanol

Dl-Menthol (JAN); Menthol (FDA

dl-Menthol (JP15)

DL-Menthol, 98+%

DL-Menthol, 99%

EINECS 201-939-0

EINECS 207-724-8

EINECS 216-074-4

EINECS 218-690-9

EINECS 239-387-8

EINECS 239-388-3

EPA Pesticide Chemical Code 051601

Fisherman's friend lozenges

Fisherman's friend lozenges (TN)

Headache crystals

Hexahydrothymol

L(-)-Menthol, 99.5%

L-Menthol (JAN); Levomenthol (BAN

l-Menthol (JP15)

l-Menthol (natural)

Levomenthol [INN:BAN]

levomenthol; levomentholum; levomentol

Levomentholum [INN-Latin]

Menthol natural

Menthol natural, brazilian

Menthol racemic

Menthol racemique

Menthol racemique [French]

Menthol solution

MENTHOL, (+)-neo-

Menthol, (.+/-.)-

Menthol, (1alpha,2beta,5alpha)-Isomer

Menthol, (1R,3R,4S)-(-)-

Menthol, (1S,3S,4R)-(+)-

Menthol, cis-1,3,cis-1,4-

Menthol, cis-1,3,trans-1,4-

Menthol, trans-1,3,cis-1,4-

Menthol, trans-1,3,trans-1,4-

Menthyl alcohol

MolPort-000-849-729

MolPort-001-793-392

NCGC00159382-02

NCGC00159382-03

NCGC00164247-01

NCGC00164247-02

nchembio862-comp1

NOOLISFMXDJSKH-KXUCPTDWBX

NOOLISFMXDJSKH-KXUCPTDWSA-

Peppermint camphor

Peppermint camphor;Menthol

Racementhol [INN:BAN]

Racementholum [INN-Latin]

Racementol [INN-Spanish]

Racemic menthol

RACEMIC MENTHOL U.S.P.

Robitussin Cough Drops

SDCCGMLS-0066659.P001

SPECTRUM1503134

Spectrum2_000855

Spectrum3_001561

Spectrum5_001060

Spectrum_000305

Tra-kill tracheal mite killer

UNII-BZ1R15MTK7

UNII-L7T10EIP3A

UNII-YS08XHA860

W266507_ALDRICH

W266523_ALDRICH

W266590_ALDRICH

WLN: L6TJ AY1&1 BQ D1

WLN: L6TJ AY1&1 DQ D1 -L

SMILES:

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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.34	3.82	-2	1	1	0	20	156.269	1	↓ MOL2 SDF SMILES Flexibase

Vendor Notes

Note Type	Comments	Provided By
BP [°C]	212	Acros Organics
Boiling_Point	212-216?	Alfa-Aesar
Boiling_Point	212-216°	Alfa-Aesar
BP [°C]	216	Acros Organics
Mp [°C]	32 - 36	Acros Organics
Melting_Point	33-36?	Alfa-Aesar
Melting_Point	33-36°	Alfa-Aesar
MP	34-36 °C(lit.)	Indofine
Mp [°C]	41 - 43	Acros Organics
Melting_Point	42-45?	Alfa-Aesar
Melting_Point	42-45°	Alfa-Aesar
MP	43	TCI
ALOGPS_SOLUBILITY	5.58e-01 g/l	DrugBank-approved
purity	9.500000000000000e+001	Enamine Building Blocks Enamine Building Blocks
Purity	95%	Fluorochem
Therapy	analgesic (topical), antipruritic agent	SMDC Pharmakon
Patent Database Links	EP1992619; US2008227857; WO2006103401; WO2008142006	ChEBI
Target	Glutathione S-transferase P(P09211)&72 kDa type IV collagenase(P08253)	Herbal Ingredients Targets
H phrase	H315: Causes skin irritation	Acros Organics
H phrase	H315: Causes skin irritation; H319: Causes serious eye irritation	Acros Organics
H phrase	H315: Causes skin irritation; H335: May cause respiratory irritation; H319: Causes serious eye irritation	Acros Organics
P phrase	P261: Avoid breathing dust/fume/gas/mist/vapors/spray	Acros Organics
P phrase	P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P302+ P352: IF ON SKIN: Wash with plenty of soap and water; P280: Wear protective gloves/protective clothing/eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water	Acros Organics
P phrase	P280: Wear eye protection/face protection	Acros Organics
P phrase	P280: Wear protective gloves/protective clothing/eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing; P302 + P352: IF ON SKIN:	Acros Organics
R phrase	R36/37/38: Irritating to eyes, respiratory system and skin.	Acros Organics
R phrase	R38: Irritating to skin.	Acros Organics
S phrase	S24/25: Avoid contact with skin and eyes.	Acros Organics
S phrase	S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.	Acros Organics
PUBCHEM_PATENT_ID	US4265817; US4374257; US4540797; US4658043; US4720556	IBM Patent Data
Hazard	XI: Irritant	Acros Organics

Activity (Go SEA)

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

Synonyms (259)
Vendors (46)
Annotations (35)
Representations (1)
Notes (31)
Targets (0)
Clustered (0)
Reactome (0)
Rings (0)
Analogs (37)