UCSF

ZINC01529229

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2004 12 No

Popular Name: Capric acid Capric acid

Find On: PubMed — Wikipedia — Google

CAS Numbers: 334-48-5 , [334-48-5]

Other Names:

1-decanoic acid; 1-Nonanecarboxylate; 1-Nonanecarboxylic acid; 15-(4-Iodophenyl)-3(R,S)-methylpentadecanoic acid (123I); 15-(p-Iodophenyl)-3-methylpentadecanoic acid (123I); C10:0; Caprate; Capric acid; Caprinate; Caprinic acid; Caprynate; Caprynic acid

1-nonanecarboxylate; CH3-[CH2]8-COO(-); caprinate; caprynate; decanoate; decanoic acid anion; decoate; decylate; n-caprate; n-decanoate; n-decoate; n-decylate; nC9H19CO2 anion

1-Nonanecarboxylate;1-Nonanecarboxylic acid;Caprate;Capric acid;Caprinate;Caprinic acid;Caprynate;Caprynic acid;Decoate;Decoic acid;Decylate;Decylic acid;Emery 659;Lunac 10-95;Lunac 10-98;N-Caprate;N-Capric acid;N-Decanoate;N-Decanoic acid;N-Decoate;N-Dec

1-Nonanecarboxylic acid; AI3-04453; BRN 1754556; C10 fatty acid; C10H20O2; CCRIS 4610; Capric acid; Caprinic acid; Caprynic acid; DECANOIC ACID; Decanoic acid (natural); Decoic acid; Decylic acid; EINECS 206-376-4; EPA Pesticide Chemical Code 128955; Econ

334-48-5; C01571; Decanoate; Decanoic acid; Decylic acid; n-Capric acid

334-48-5; CPD-3617; caprate; caprinate; caprinic acid; decanoate; decanoic acid; n-capric acid; n-decanoate

C10:0

C10H19O2.Na; Capric acid, sodium salt; Caprinic acid sodium salt; Decanoic acid, sodium salt; EINECS 213-688-4; LS-59381; Sodium caprate; Sodium caprinate; Sodium decanoate; Sodium decanoic acid; Sodium-n-decanoate

caprate

Capric acid; DKA; Decanoate; Decanoic acid, lead (2+) salt; Decylic acid; Lead caprate; METHYL NONANOATE (ESTER); NON; Versatic 10; Versatic 10 acid; bmse000370; decanoic acid; n-Capric acid; n-Decanoic acid; tert-DECANOIC ACID

Caprylic, capric acid, triethylene glycol diester; Decanoic acid, mixed diesters with octanoic acid and triethylene glycol; EINECS 271-517-9; LS-195635

CHEBI:125804; CHEBI:23570

decanoate

Decanoic Acid

Decanoic acid, 99%

Decanoic-10,10,10-D3 Acid

MFCD00004441

MFCD00152762

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) 4.03 7.39 -45 0 2 -1 40 171.26 8 ↓

Vendor Notes

Note Type Comments Provided By
BP [°C] 268 - 270 Acros Organics
Boiling_Point 268-270? Alfa-Aesar
Boiling_Point 268-270° Alfa-Aesar
Melting_Point 29-33? Alfa-Aesar
Melting_Point 29-33° Alfa-Aesar
Mp [°C] 30 - 32 Acros Organics
M.P 30-32 °C(lit.) Indofine
ALOGPS_SOLUBILITY 9.46e-02 g/l DrugBank-experimental
Patent Database Links EP1510208; EP1591114; US2005171117; US2008279932; WO2005113533; WO2006074269; WO2007106049; WO2007112581 ChEBI
H phrase H319: Causes serious eye irritation Acros Organics
H phrase H319: Causes serious eye irritation; H315: Causes skin irritation Acros Organics
P phrase P261: Avoid breathing dust/fume/gas/mist/vapors/spray Acros Organics
P phrase 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: Wash with plenty of soap and water; P280: Wear protective gloves/protective clothi Acros Organics
UniProt Database Links PAT17_SOLCD; PATB2_SOLTU ChEBI
R phrase R36/37/38: Irritating to eyes, respiratory system and skin. Acros Organics
R phrase R36/38: Irritating to eyes and skin. Acros Organics
S phrase S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Acros Organics
Hazard XI: Irritant Acros Organics

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