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ChemicalBook--->CAS DataBase List--->1460-18-0

1460-18-0

1460-18-0 Structure

1460-18-0 Structure
IdentificationMore
[Name]

Pentadecanedioic acid
[CAS]

1460-18-0
[Synonyms]

1,15-PENTADECANEDIOIC ACID
1,15-PENTADECANOIC ACID
PENTADECANEDIOIC ACID
1,13-Tridecanedicarboxylic acid
Pentadecandioic acid
PENTADECANEDIOIC ACID 97+%
pentadecanediacid
DC-15
[EINECS(EC#)]

679-810-7
[Molecular Formula]

C15H28O4
[MDL Number]

MFCD00039534
[Molecular Weight]

272.38
[MOL File]

1460-18-0.mol
Chemical PropertiesBack Directory
[Melting point ]

113-114°C
[Boiling point ]

212°C 16mm
[density ]

0.9913 (rough estimate)
[refractive index ]

1.4341 (estimate)
[Fp ]

212°C/16mm
[storage temp. ]

Sealed in dry,Room Temperature
[form ]

powder to crystal
[pka]

4.48±0.10(Predicted)
[color ]

White to Almost white
[Water Solubility ]

Insoluble in water.
[BRN ]

1711722
[InChI]

InChI=1S/C15H28O4/c16-14(17)12-10-8-6-4-2-1-3-5-7-9-11-13-15(18)19/h1-13H2,(H,16,17)(H,18,19)
[InChIKey]

BTZVDPWKGXMQFW-UHFFFAOYSA-N
[SMILES]

C(O)(=O)CCCCCCCCCCCCCC(O)=O
[CAS DataBase Reference]

1460-18-0(CAS DataBase Reference)
[NIST Chemistry Reference]

1,15-Pentadecanedioic acid(1460-18-0)
[EPA Substance Registry System]

1460-18-0(EPA Substance)
Safety DataBack Directory
[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 .
[TSCA ]

Yes
[HS Code ]

2917.19.7050
Raw materials And Preparation ProductsBack Directory
[Raw materials]

15-HYDROXYPENTADECANOIC ACID-->PARAFFIN-->Petrolatum-->PARAFFIN-->CYCLODODECANONE-->Dodecanedioic acid
[Preparation Products]

Cyclopentadecanolide-->Cyclopentadecanone-->Muscone
Hazard InformationBack Directory
[Chemical Properties]

Grey to off-white solid
[Uses]

It is an important raw material and intermediate used in organic synthesis, pharmaceuticals, agrochemicals and dyestuffs.
[Definition]

ChEBI: Pentadecanedioic acid is a long-chain fatty acid.
[Preparation]

Pentadecanedioic acid is produced from paraffin through fermentation followed by purification, rather than the traditional multi-step chemical process.
[References]

[1] L. I. ZAKHARKIN V. V G. ChemInform Abstract: SYNTHESIS OF PENTADECANEDIOIC ACID FROM CYCLODODECANONE OR DODECANEDIOIC ACID[J]. ChemInform, 1982, 13 22. DOI:10.1002/chin.198222164.
[2] KYUNG-CHUL SHIN. Pentadecanedioic acid production from 15-hydroxypentadecanoic acid using an engineered biocatalyst with a co-factor regeneration system[J]. Journal of the American Oil Chemists Society, 2022, 99 8: 675-683. DOI:10.1002/aocs.12629.
Spectrum DetailBack Directory
[Spectrum Detail]

Pentadecanedioic acid(1460-18-0)MS
Pentadecanedioic acid(1460-18-0)1HNMR
Pentadecanedioic acid(1460-18-0)13CNMR
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

Pentadecanedioic acid, 97%(1460-18-0)
[TCI AMERICA]

Pentadecanedioic Acid,>97.0%(GC)(1460-18-0)
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