UCSF

ZINC00901420

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2004 6 Yes

Popular Name: Isobutyric acid Isobutyric acid

Find On: PubMed — Wikipedia — Google

CAS Numbers: 102146-07-6 , 19455-20-0 , 25179-23-1 , 29054-08-8 , 533-90-4 , 61261-73-2 , 79-31-2 , 996-30-5 , [79-31-2]

Other Names:

2,2-dimethylacetic acid; 2-Methylpropionsaeure; Isobuttersaeure; alpha-isobutyric acid; alpha-methylpropanoic acid; alpha-methylpropionic acid; iso-C3H7COOH; iso-butyric acid; isobutanoic acid; isopropylformic acid

2-METHYL-D3-PROPIONIC-3,3,3-D3ACID

2-methyl-propanoic acid

2-Methyl-propionic acid

2-METHYL-PROPIONIC ACID; 2-Methylpropanoate; 2-Methylpropanoic acid; 2-Methylpropionate; 2-Methylpropionic acid; 2-Methylpropionsaeure; 2,2-dimethylacetic acid; a-Methylpropanoate; a-Methylpropanoic acid; a-Methylpropionate; a-Methylpropionic acid; Acetic

2-Methyl-Propionic Acid; 2-Methylpropanoate; 2-Methylpropionic acid; 2-methylpropanoic acid; ALQ; Acetic acid, dimethyl-; Cenex RP b2; Dimethylacetic acid; ISOBUTYRIC ACID; Iso-butyric acid; Isobutanoate; Isobutanoic acid; Isobuttersaeure; Isobutyrate; Is

2-methylpropanoate; 2-methylpropanoic acid; 2-methylpropionic acid; 79-31-2; dimethylacetic acid; isobutanoate; isobutyrate; isobutyric acid

2-Methylpropanoate; 2-Methylpropanoic acid; 79-31-2; C02632; Dimethylacetic acid; Isobutanoate; Isobutyrate; Isobutyric acid

2-Methylpropanoate;2-Methylpropanoic acid;2-Methylpropionate;2-Methylpropionic acid;a-Methylpropanoate;a-Methylpropanoic acid;a-Methylpropionate;a-Methylpropionic acid;alpha-Methylpropanoate;alpha-Methylpropanoic acid;alpha-Methylpropionate;alpha-Methylpr

2-methylpropanoic acid

2-Methylpropanoic acid; 2-Methylpropionic acid; AI3-24260; Acetic acid, dimethyl-; BRN 0635770; Caswell No. 503AA; Cenex RP b2; Dimethylacetic acid; EINECS 201-195-7; EPA Pesticide Chemical Code 101502; FEMA No. 2222; HSDB 5228; Iso-butyric acid; Isobutan

2-Methylpropionic acid

8-Cyclopentyl-3,7-dihydro-1,3-dipropyl-1H-purine-2,6-dione

Calcium isobutyrate

CHEBI:40653; CHEBI:43397; CHEBI:1212; CHEBI:19710; CHEBI:25337

Isobutanoic acid

Isobutyric acid potassium salt

Isobutyric acid, 99%

Isobutyric acid, 99+%

IsobutyricAcid

Lithium isobutyrate

Lithium isobutyrate, 98+%

LITHIUMISOBUTYRATE

MFCD00002658

MFCD00045889

MFCD00058992

MFCD00210622

MFCD26967908

Palladium(II) isobutyrate

PotassiuM Isobutyrate

PotassiuMIsobutyrate

Propanoic-3,3,3-d3acid, 2-(methyl-d3)-

Sodium isobutyrate

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) 0.68 2.61 -45.32 0 2 -1 40 87.098 1 ↓

Vendor Notes

Note Type Comments Provided By
Mp [°C] 47 Acros Organics
Melting_Point 47? Alfa-Aesar
Melting_Point 47° Alfa-Aesar
ALOGPS_SOLUBILITY 1.97e+02 g/l DrugBank-experimental
BP [°C] 153 - 154 Acros Organics
Boiling_Point 153-154? Alfa-Aesar
Boiling_Point 153-154° Alfa-Aesar
BP 155 TCI
UniProt Database Links DPYS_DICDI; DPYS_HUMAN; DPYS_LACK1; DPYS_MOUSE; DPYS_RAT; S38A1_HUMAN; S38A1_MOUSE; S38A1_PONAB; S38A1_RAT; S38A2_HUMAN; S38A2_RAT; YDIF_ECO57 ChEBI
PUBCHEM_PATENT_ID EP0050072A1; EP0053071A1; EP0053072A1; EP0053073A1; EP0053541A1; EP0055465A2; EP0057422A2; EP0060518A1; EP0068245A1; EP0089650A1; EP0107614A2; EP0112285A2; EP0114032A2; EP0118395A2; EP0126025A1; EP0126026A1; EP0131542A1; EP0132223A1; EP0133843A1; EP013419 IBM Patent Data
Patent Database Links EP0947523; EP1026158; EP1229031; EP1611885; EP1709960; EP1745791; EP1862461; EP1886677; EP1939176; US2003082830; US2003166719; US2003220362; US2004014940; US2005049307; US2005249784; US2005277685; US2007129561; US2007190091; US2007259046; US2008293646; WO ChEBI
H phrase H302: Harmful if swallowed Acros Organics
H phrase H302: Harmful if swallowed; H312: Harmful in contact with skin Acros Organics
P phrase P301 + P310: IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician Acros Organics
P phrase P301 + P310: IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician; P280: Wear protective gloves/protective clothing/eye protection/face protection; P302 + P350: IF ON SKIN: Gently wash with plenty of soap and water; P210: Keep away from heat Acros Organics
R phrase R21/22: Harmful in contact with skin and if swallowed. Acros Organics
Target Transcription factor AP-1(P05412) Herbal Ingredients Targets
Hazard XN: Harmful Acros Organics

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