Product no. chemwill15PD1011
1,5-Pentanedicarboxylic acid Heptanedioic acid 111-16-0 Manufacturer High quality Best price In stock Pimelic acid 111-16-0
Pimelic acid 111-16-0 In stock 1,5-Pentanedicarboxylic acid Heptanedioic acid 111-16-0
Product Name: Pimelic acid
Synonyms:
1,5-Pentanedicarboxylic acid; Heptanedioic acid; Pentane-1,5-dicarboxylic acid; Heptanedioic-2,2,6,6-d4 acid (Pimelic acid); heptanedioate
CAS RN.:
111-16-0
EINECS: 203-840-8
Molecular Weight: 158.153
Molecular Formula: C7H10O4
Melting Point(℃): 103-106℃
Boiling Point(℃): 353.7°C at 760 mmHg
Flash Point(℃): 181.9°C
Water Solubility: 25 g/L (13℃)
Synonyms 1,5-Pentanedicarboxylic acid; 6-Carboxyhexanoate; Heptanedioic acid
Pimelic acid is the organic compound with the formula HO2C(CH2)5CO2H. Derivatives of pimelic acid are involved in the biosynthesis of the amino acid called lysine. Pimelic acid is one CH 2 unit longer than a related dicarboxylic acid, adipic acid, a precursor to many polyesters and polyamides. It is the final member of the mnemonic used to aid recollection of the order of the first six dicarboxylic acids using their common (not IUPAC) nomenclature: Dicarboxylic acid
Basic Info
Chemical Name pimelic acid
Synonyms
heptanedioic acid; Pimefilina [INN-Spanish]; Pimefyllinum [INN-Latin]; Pimelic acid; heptane-1,7-dioic acid; Expand
CAS No. 111-16-0
Molecular Formula C7H12O4
Molecular Weight 160.16800
PSA 74.60000
LogP 1.10610
Properties
Appearance & Physical State white crystal or crystal powder;
Density 1.29
Boiling Point 212ºC (10 mmHg)
Melting Point 103-106ºC
Flash Point 181.9ºC
Water Solubility 25 g/L (13 ºC)
Stability Stable. Incompatible with oxidizing agents, bases. Combustible.
Storage Condition Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
Vapor Pressure 5.92E-06mmHg at 25°C
Safety Info
RTECS TK3677000
Safety Statements S26-S36
HS Code 2917190090
WGK Germany 2
Risk Statements R36/37/38
Hazard Codes Xi
Name
Pimelic acid
EINECS 203-840-8
CAS No. 111-16-0 Density 1.201 g/cm3
Solubility ethanol: 0.1 g/mL, clear to very faintly hazy Melting Point 103-105 °C(lit.)
Formula C7H12O4 Boiling Point 212 °C10 mm Hg(lit.)
Molecular Weight 160.19 Flash Point 181.9 °C
Transport Information Appearance white crystal or crystal powder
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 111-16-0 (Pimelic acid) Hazard Symbols IrritantXi
Synonyms
Pimelicacid (8CI);1,5-Pentanedicarboxylic acid;1,7-Heptanedioic acid;NSC 30112;Pileric acid;Heptanedioic Acid;
Pimelic acid Chemical Properties
Product Name: Pimelic acid (CAS NO.111-16-0)
Molecular Formula: C7H12O4
Molecular Weight: 160.17
EINECS: 203-840-8
Melting point: 103-105 °C(lit.)
Boiling point: 212 °C10 mm Hg(lit.)
Density: 1.329 g/cm3
Flash point: 212°C/10mm
Solubility: ethanol: 0.1 g/mL, clear to very faintly hazy
Water Solubility: 25 g/L (13 °C)
Merck: 14,7431
BRN: 1210024
Index of Refraction: 1.476
Molar Refractivity: 37.6 cm3
Molar Volume: 133.3 cm3
Surface Tension: 49.8 dyne/cm
Enthalpy of Vaporization: 65.77 kJ/mol
Vapour Pressure: 5.92E-06 mmHg at 25°C
XLogP3-AA: 0.5
H-Bond Donor: 2
H-Bond Acceptor: 4
Structure Descriptors of Pimelic acid (CAS NO.111-16-0):
IUPAC Name: heptanedioic acid
Canonical SMILES: C(CCC(=O)O)CCC(=O)O
InChI: InChI=1S/C7H12O4/c8-6(9)4-2-1-3-5-7(10)11/h1-5H2,(H,8,9)(H,10,11)
InChIKey: WLJVNTCWHIRURA-UHFFFAOYSA-N
Product Categories: Miscellaneous Natural Products; BUILDING BLOCKS; alpha,omega-Alkanedicarboxylic Acids; alpha,omega-Bifunctional Alkanes; Monofunctional & alpha,omega-Bifunctional Alkanes
Pimelic acid Uses
Pimelic acid (CAS NO.111-16-0) is generally used in biochemical research, for the preparation of polymers,and can be used as raw material for plasticizers.
Pimelic acid Specification
Pimelic acid (CAS NO.111-16-0) is one methylene longer than a related dicarboxylic acid, adipic acid, a precursor to many polyesters and polyamides. It has some synonyms like 1,5-Pentanedicarboxylic acid ; Heptanedioic acid ; Pentane-1,5-dicarboxylic acid ; Heptanedioic-2,2,6,6-d4 acid (Pimelic acid) ; 6-Carboxyhexanoate ,and so on.
Pimelic acid Basic information
Product Name: Pimelic acid
Synonyms: RARECHEM AL BO 1093;TIMTEC-BB SBB007898;PENTAN-1,5-DICARBOXYLIC ACID;PENTANE-1,5-DICARBOXYLIC ACID;PIMELINIC ACID;PIMELIC ACID;6-carboxyhexanoate;1,7-HEPTANEDIOIC ACID
CAS: 111-16-0
MF: C7H12O4
MW: 160.17
EINECS: 203-840-8
Product Categories: -;Miscellaneous Natural Products;BUILDING BLOCKS;alpha,omega-Alkanedicarboxylic Acids;alpha,omega-Bifunctional Alkanes;Monofunctional & alpha,omega-Bifunctional Alkanes
Mol File: 111-16-0.mol
Pimelic acid Structure
Pimelic acid Chemical Properties
Melting point 103-105 °C(lit.)
Boiling point 212 °C10 mm Hg(lit.)
density 1,329 g/cm3
refractive index 1.4352 (estimate)
Fp 212°C/10mm
storage temp. Store below +30°C.
solubility ethanol: 0.1 g/mL, clear to very faintly hazy
pka 4.71(at 25℃)
form Powder
color White to slightly beige
Water Solubility 25 g/L (13 ºC)
Merck 14,7431
BRN 1210024
Stability: Stable. Incompatible with oxidizing agents, bases. Combustible.
InChIKey WLJVNTCWHIRURA-UHFFFAOYSA-N
CAS DataBase Reference 111-16-0(CAS DataBase Reference)
NIST Chemistry Reference Heptanedioic acid(111-16-0)
EPA Substance Registry System Heptanedioic acid(111-16-0)
Safety Information
Hazard Codes Xi
Risk Statements 36/37/38
Safety Statements 26-36
WGK Germany 2
RTECS TK3677000
Hazard Note Irritant
TSCA Yes
HS Code 29171990
Toxicity LD50 orally in Rabbit: 7000 mg/kg
MSDS Information
Provider Language
1,5-Pentanedicarboxylic acid English
SigmaAldrich English
ACROS English
ALFA English
Pimelic acid Usage And Synthesis
Description Pimelic acid is the organic compound with the formula HO2C(CH2)5CO2H which has been synthesized from cyclohexanone and from salicylic acid. In the former route, the additional carbon is supplied by dimethyloxalate, which reacts with the enolate.
This acid (heptanedioic acid), from the Greek pimelh (pimele fat), as adipic acid, was isolated from oxidized fats. It was obtained in 1884 by Ganttner F et al. as a product of ricinoleic acid (hydroxylated oleic acid) from castor oil.
Chemical Properties white solid
Definition ChEBI: An alpha,omega-dicarboxylic acid that is pentane with two carboxylic acid groups at positions C-1 and C-5.
Enzyme inhibitor This dicarboxylic acid (FWfree-acid = 160.17 g/mol; CAS 111-16-0; pK1 = 4.46 and pK2 = 5.58), also known as heptanedioic acid, is soluble in water (5 g/100 mL at 20°C). Pimelate is excreted in elevated amounts in urine in individuals with disorders in mitochondrial and peroxisomal b-oxidation, for which it is of significant diagnostic value. Target(s): 2-aminoadipate aminotransferase; 4-aminobutyrate aminotransferase; carbamoylphosphate synthetase; carboxy-cis,cis-muconate cyclase; glutamate decarboxylase, Ki = 0.81 mM; kynurenine:oxoglutarate aminotransferase; and 2,3,4,5-tetrahydropyridine-2,6-dicarboxylate N-succinyltransferase.
Purification Methods Crystallise the acid from water or from *benzene containing 5% diethyl ether. [Beilstein 1 IV 2003.]
Pimelic acid Preparation Products And Raw materials
Preparation Products L-Lysine-->L-Lysine hydrochloride-->DIMETHYL PIMELATE-->Diethyl pimelate
Raw materials 3-Methyl-1-butanol
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