UCSF

ZINC00000490

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 11 Yes

Popular Name: Methyl salicylate Methyl salicylate

Find On: PubMed — Wikipedia — Google

CAS Numbers: 119-36-8 , 135952-76-0 , 8001-88-5 , 90045-28-6 , [119-36-8]

Other Names:

"Methyl salicylate, 99%"

119-36-8; C12305; Methyl 2-hydroxybenzoate; Methyl salicylate

119-36-8; D01087; Methyl salicylate (JP16/NF); Methyl salicylate (TN)

2,4-Cyclohexadien-1-one, 6-(hydroxymethoxymethylene)- (9CI)

2- phenol

2-(Methoxycarbonyl)phenol; 2-Carbomethoxyphenol; 2-Hydroxybenzoic acid methyl ester; 2-Hydroxybenzoic acid, methyl ester; AI3-00090; Analgit; BRN 0971516; Benzoic acid, 2-hydroxy-, methyl ester; Betula; Betula Lenta; Betula oil; Birch oil, sweet; CCRIS 62

2-(Methoxycarbonyl)phenol; 2-Carbomethoxyphenol; 2-Hydroxybenzoic acid methyl ester; Betula oil; Gaultheria oil; Methyl 2-hydroxybenzoate; Methyl o-hydroxybenzoate; Methyl salicylate; Natural wintergreen oil; Oil of wintergreen; Spicewood Oil; Sweet birch

2-(Methoxycarbonyl)phenol; 2-Hydroxybenzoic acid, methyl ester; Analgit; benzoate anion; Benzoic acid, 2-hydroxy-, methyl ester; benzoic acid, ion(1-); Betula; Betula Lenta; Betula oil; Exagien; Flucarmit; Gaultheria oil; Gaultheria Oil, artificial; Gault

2-(Methoxycarbonyl)phenol;2-Carbomethoxyphenol;2-Hydroxybenzoic acid methyl ester;Benzoic acid, 2-hydroxy-, methyl ester;FEMA 2745;Methyl ester 2-hydroxy-benzoic acid;Methyl O-hydroxybenzoate;Methyl salicylate, 8CI;O-Hydroxybenzoic acid, methyl ester

2-Hydroxybenzoic acid methyl ester

Betula lenta oil; Birch Bark oil; Birch oil; Birch oil, sweet; Birch sweet oil (Betula lenta L.); Black birch oil; FEMA No. 2154; LS-98262; Oils, sweet birch; Sweet birch oil

Birch Oil

Birch-Me

CPD-6442; MeSA; methylsalicylate; salicylate methyl ester

Gaultherin

JAN

Methyl 2-hydroxy benzoate

Methyl 2-hydroxybenzoate

Methyl Salicylate (FDA

Methyl salicylate, 98%

Methyl salicylate, 99%

methyl-2-hydroxybenzoate

MFCD00002214

NF)

Rhodiaflor

Salicylic acid methyl ester

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) 2.13 3.19 -8.02 1 3 0 47 152.149 2 ↓
Hi High (pH 8-9.5) 2.13 4.19 -49.22 0 3 -1 49 151.141 2 ↓

Vendor Notes

Note Type Comments Provided By
Mp [°C] 8 Acros Organics
MP 8 - -7 Enamine Building Blocks
MP 8...-7 Enamine Building Blocks
Melting_Point 9? Alfa-Aesar
Melting_Point 9° Alfa-Aesar
BP [°C] 222 Acros Organics
BP 224 TCI
Boiling_Point 224? Alfa-Aesar
Boiling_Point 224° Alfa-Aesar
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 97% Fluorochem
UniProt Database Links AAMT3_MAIZE; MES1_ARATH; MES2_ARATH; MES4_ARATH; MES7_ARATH; MES9_ARATH; PLDG1_ARATH; PLDG2_ARATH; PLDG3_ARATH; SABP2_TOBAC; SAMT_CLABR ChEBI
H phrase H302: Harmful if swallowed Acros Organics
H phrase 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
R phrase R22: Harmful if swallowed. Acros Organics
S phrase S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Acros Organics
Target Transcription factor p65(Q04206)&Apoptosis regulator Bcl-2(P10415) Herbal Ingredients Targets
Hazard XN: Harmful Acros Organics

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Rings

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

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