UCSF

ZINC01529498

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2004 14 No

CAS Numbers: 143-07-7 , 629-25-4

Other Names:

1-Undecanecarboxylate; 1-Undecanecarboxylic acid; ABL; Acide Laurique; C12 fatty acid; C12:0; Coconut oil fatty acids; DAO; Dodecanoate; dodecanoic acid; dodecoate; Dodecoic acid; Dodecylate; dodecylcarboxylate; Dodecylic acid; duodecyclate; Duodecyclic a

1-Undecanecarboxylate; 1-Undecanecarboxylic acid; ABL; Aliphat No. 4; Dodecanoate; Dodecanoic acid; Dodecylate; Dodecylic acid; Edenor C 1298-100; Emery 651; Hystrene 9512; Kortacid 1299; Laurate; Lauric acid; Laurostearate; Laurostearic acid; Lunac L 70

1-undecanecarboxylate; C12 fatty acid anion; CH3-[CH2]10-COO(-); dodecanate; dodecoate; dodecylate; duodecyclate; duodecylate; laurostearate; n-dodecanoate; undecane-1-carboxylate; vulvate

1-Undecanecarboxylate;1-Undecanecarboxylic acid;ABL;Aliphat No. 4;Dodecanoate;Dodecanoic acid;Dodecylate;Dodecylic acid;Edenor C 1298-100;Emery 651;Hystrene 9512;Kortacid 1299;Laurate;Lauric acid;Laurostearate;Laurostearic acid;Lunac L 70;Lunac L 98;N-Dod

1-Undecanecarboxylic acid; ABL; AI3-00112; Aliphat No. 4; BRN 1099477; C-1297; C12 fatty acid; CCRIS 669; Dodecanoic acid; Dodecoic acid; Dodecylic acid; Duodecylic acid; EINECS 205-582-1; FEMA No. 2614; HSDB 6814; Hydrofol acid 1255; Hydrofol acid 1295

1-Undecanecarboxylic acid; ABL; Aliphat No. 4; C12 fatty acid; CH3-[CH2]10-COOH; Coconut oil fatty acids; DAO; DODECANOIC ACID (LAURIC ACID); Dodecanoate; Dodecanoic (lauric) acid; Dodecanoic acid; Dodecanoic acid (lauric acid); Dodecoic acid; Dodecylcarb

143-07-7; C02679; Dodecanoate; Dodecanoic acid; Dodecylcarboxylate; Lauric acid

143-07-7; dodecanoate; dodecanoic acid; laurate; lauric acid; n-dodecanoic acid; tin II 2-ethylhexanoate

AI3-00287; Ammonium laurate; Dodecanoic acid, ammonium salt; Dodecanoic acid, ammonium salt (1:1); EINECS 219-439-6; LS-195333; Lauric acid, ammonium salt

Caswell No. 694A; Dodecanoic acid, potassium salt; EINECS 233-344-7; EPA Pesticide Chemical Code 079021; LS-63505; Lauric acid, potassium salt; Potassium dodecanoate; Potassium laurate

Caswell No. 778A; Dodecanoic acid, sodium salt; EINECS 211-082-4; EPA Pesticide Chemical Code 079026; LS-87644; Lauran sodny [Czech]; Lauric acid, sodium salt; Sodium dodecanoate; Sodium laurate

CHEBI:14187; CHEBI:23863

dodecanoate

Dodecanoic acid

Dodecanoic acid, 98%

Dodecanoic acid, typically 99.5%

Dodecanoic-12,12,12-D3 Acid

laurate

Lauric acid, 99%

Lauric acid, sodium salt, 98%

MFCD00002736

MFCD00041754

n-Dodecanoic acid; Dodecanoate; Dodecylic acid; C12:0

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) 5.04 8.95 -44.96 0 2 -1 40 199.314 10

Vendor Notes

Note Type Comments Provided By
Boiling_Point 180?/21mm Alfa-Aesar
Boiling_Point 180°/21mm Alfa-Aesar
BP [°C] 225 (p=100 torr) Acros Organics
Melting_Point 43-45? Alfa-Aesar
Melting_Point 43-45° Alfa-Aesar
Mp [°C] 44 - 46 Acros Organics
M.P 44-46 °C(lit.) Indofine
UniProt Database Links ACSL3_HUMAN; ACSL3_MOUSE; ACSL3_PONAB; ACSL3_RAT; CBACL_PSEUC; CP2C2_RABIT; CP4AB_HUMAN; CP4AM_HUMAN; CP4AO_PIG; CP4AP_PIG; CP4V2_HUMAN; CP4V2_MOUSE; CP4V2_PONAB; CP4V2_RAT; FATB_UMBCA; LCFCS_THET8; MSBB1_SHIFL; MSBB2_SHIFL; MSBB_ECOLI; MSBB_HAEIN ChEBI
PUBCHEM_PATENT_ID EP0355842A2 IBM Patent Data
PUBCHEM_PATENT_ID EP0950408A1 IBM Patent Data
Patent Database Links EP1752134; EP1983044; US2007190132; WO2006070195; WO2006077426 ChEBI
H phrase H318: Causes serious eye damage Acros Organics
H phrase H318: Causes serious eye damage; H335: May cause respiratory irritation; H411: Toxic to aquatic life with long lasting effects; H315: Causes skin irritation Acros Organics
H phrase H319: Causes serious eye irritation Acros Organics
P phrase P280: Wear eye protection/face protection Acros Organics
P phrase P280: Wear 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; P310: Immediately call a POISON CENTER or doctor/physician; P26 Acros Organics
P phrase P280: Wear protective gloves/protective clothing/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 Acros Organics
R phrase R36/38: Irritating to eyes and skin. Acros Organics
R phrase R37/38: Irritating to respiratory system and skin. Acros Organics
R phrase R37/38: Irritating to respiratory system and skin.; R41: Risk of serious damage to eyes.; R51/53: Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. Acros Organics
R phrase R41: Risk of serious damage to eyes. Acros Organics
S phrase S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Acros Organics
S phrase S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S37/39: Wear suitable gloves and eye/face protection.; S61: Avoid release to the environment. Refer to special instructions / safety data sheets. Acros Organics
Target Tumor necrosis factor(P01375)&Interferon gamma(P01579)&Interleukin-2(P60568)&Transcription factor p65(Q04206)&Prostaglandin G/H synthase 2(P35354)&Alpha-1A adrenergic receptor(P35348)&RAC-alpha serine/threonine-protein kinase(P31749)&Transcription factor Herbal Ingredients Targets
Hazard XI: Irritant Acros Organics
Hazard XI: Irritant; N: Dangerous for the environment Acros Organics

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