| Identification | More | [Name]
Pimelic acid | [CAS]
111-16-0 | [Synonyms]
1,5-PENTANEDICARBOXYLIC ACID
1,7-HEPTANEDIOIC ACID
6-carboxyhexanoate
DICARBOXYLIC ACID C7
HEPTANDIOIC ACID
HEPTANE DIACID
HEPTANEDIOIC ACID
PENTAN-1,5-DICARBOXYLIC ACID
PENTANE-1,5-DICARBOXYLIC ACID
PIMELIC ACID
PIMELINIC ACID
RARECHEM AL BO 1093
TIMTEC-BB SBB007898
1,5-Heptanedioicacid
Heptane-1,7-dioic acid
heptane-1,7-dioicacid
Pileric acid
pilericacid
Heptanedioic-2,2,6,6-d4 acid (Pimelic acid)
PEMILIC ACID | [EINECS(EC#)]
203-840-8 | [Molecular Formula]
C7H12O4 | [MDL Number]
MFCD00004425 | [Molecular Weight]
160.17 | [MOL File]
111-16-0.mol |
| Chemical Properties | Back Directory | [Appearance]
white solid | [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
| [form ]
Powder | [pka]
4.71(at 25℃) | [color ]
White to slightly beige | [PH]
3.77(1 mM solution);3.25(10 mM solution);2.74(100 mM solution) | [Stability:]
Stable. Incompatible with oxidizing agents, bases. Combustible. | [Water Solubility ]
25 g/L (13 ºC) | [Detection Methods]
T | [Merck ]
14,7431 | [BRN ]
1210024 | [Henry's Law Constant]
2.6×107 mol/(m3Pa) at 25℃, Duchowicz et al. (2020) | [Cosmetics Ingredients Functions]
PLASTICISER | [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 | [SMILES]
OC(=O)CCCCCC(O)=O | [LogP]
0.610 | [CAS DataBase Reference]
111-16-0(CAS DataBase Reference) | [NIST Chemistry Reference]
Heptanedioic acid(111-16-0) | [EPA Substance Registry System]
111-16-0(EPA Substance) |
| Safety Data | Back Directory | [Symbol(GHS) ]
GHS07 | [Signal word ]
Warning | [Hazard statements ]
H319-H335 | [Precautionary statements ]
P261-P264-P271-P280-P304+P340+P312-P305+P351+P338 | [Hazard Codes ]
Xi | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing . | [WGK Germany ]
2
| [RTECS ]
TK3677000
| [Hazard Note ]
Irritant | [TSCA ]
Yes | [REACH Registrations]
Active | [HS Code ]
29171990 | [Storage Class]
11 - Combustible Solids | [Hazard Classifications]
Eye Irrit. 2
STOT SE 3 | [Toxicity]
LD50 orally in Rabbit: 7000 mg/kg |
| Hazard Information | Back Directory | [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 | [Uses]
Pimelic Acid is a metabolite found in four biofluids from dairy cows that may be used as biomarkers of milk. | [Uses]
The major uses of pimelic acid are in plasticizers and
polymers. | [Definition]
ChEBI: An alpha,omega-dicarboxylic acid that is pentane with two carboxylic acid groups at positions C-1 and C-5. | [Synthesis Reference(s)]
Journal of the American Chemical Society, 78, p. 3425, 1956 DOI: 10.1021/ja01595a044
Organic Syntheses, Coll. Vol. 2, p. 531, 1943
Synthesis, p. 54, 1988 | [storage]
Store at -20°C | [Purification Methods]
Crystallise the acid from water or from *benzene containing 5% diethyl ether. [Beilstein 1 IV 2003.] |
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J & K SCIENTIFIC LTD.
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Alfa Aesar
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Energy Chemical
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Jia Xing Isenchem Co.,Ltd
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