Pimelic acid 111-16-0 In stock 1,5-Pentanedicarboxylic acid Heptanedioic acid 111-16-0

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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