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505-54-4

505-54-4 Structure

505-54-4 Structure
IdentificationMore
[Name]

HEXADECANEDIOIC ACID
[CAS]

505-54-4
[Synonyms]

1,14-TETRADECANEDICARBOXYLIC ACID
1,16-HEXADECANEDIOIC ACID
DICARBOXYLIC ACID C16
HEXADECANE DIACID
HEXADECANEDIOIC ACID
THAPSIC ACID
Hexadecane-1,16-dioic acid
n-Tetradecane-omega,omega'-dicarboxylic acid
Hexadecanedioicacid,94%
tetradecane dicarboxylic acid
HEXADECANE
1,16-HEXADECANDIOIC ACID (THAPSIC ACID)
[EINECS(EC#)]

208-013-5
[Molecular Formula]

C16H30O4
[MDL Number]

MFCD00002746
[Molecular Weight]

286.41
[MOL File]

505-54-4.mol
Chemical PropertiesBack Directory
[Appearance]

white powder
[Melting point ]

120-123 °C(lit.)
[Boiling point ]

451.08°C (rough estimate)
[density ]

1.0351 (rough estimate)
[vapor pressure ]

0Pa at 25℃
[refractive index ]

1.4485 (estimate)
[storage temp. ]

Store below +30°C.
[solubility ]

DMSO (Slightly), Methanol (Slightly)
[form ]

Solid
[pka]

4.48±0.10(Predicted)
[color ]

White to Off-White
[Stability:]

Stable. Incompatible with bases, oxidizing agents, reducing agents. Combustible.
[Water Solubility ]

5.098mg/L at 20℃
[BRN ]

1792831
[InChI]

1S/C16H30O4/c17-15(18)13-11-9-7-5-3-1-2-4-6-8-10-12-14-16(19)20/h1-14H2,(H,17,18)(H,19,20)
[InChIKey]

YGMGJMSLLNODQV-UHFFFAOYSA-N
[SMILES]

OC(=O)CCCCCCCCCCCCCCC(O)=O
[LogP]

4.67 at 25℃
[CAS DataBase Reference]

505-54-4(CAS DataBase Reference)
[EPA Substance Registry System]

Hexadecanedioic acid (505-54-4)
Questions And AnswerBack Directory
[Uses]

Hexadecanedioic Acid is a useful research intermediate for the studies of blood pressure regulations in humans. Hexadecandedioate works in collaboration with SLCO1B1 as a potential therapy for statin.
Safety DataBack Directory
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S24/25:Avoid contact with skin and eyes .
[WGK Germany ]

3
[TSCA ]

TSCA listed
[REACH Registrations]

Active
[HS Code ]

29171900
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Chemical Properties]

white powder
[Definition]

ChEBI: An alpha,omega-dicarboxylic acid that is the 1,14-dicarboxy derivative of tetradecane.
[IC 50]

Human Endogenous Metabolite
[storage]

Store at -20°C
[Purification Methods]

Crystallise thaspic acid from EtOH, ethyl acetate or *C6H6. [Beilstein 2 IV 2162.]
Spectrum DetailBack Directory
[Spectrum Detail]

HEXADECANEDIOIC ACID(505-54-4)MS
HEXADECANEDIOIC ACID(505-54-4)1HNMR
HEXADECANEDIOIC ACID(505-54-4)13CNMR
HEXADECANEDIOIC ACID(505-54-4)IR1
HEXADECANEDIOIC ACID(505-54-4)IR2
HEXADECANEDIOIC ACID(505-54-4)Raman
HEXADECANEDIOIC ACID(505-54-4)ESR
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

Hexadecanedioic acid, 97%(505-54-4)
[Alfa Aesar]

Hexadecanedioic acid, 94%(505-54-4)
[Sigma Aldrich]

505-54-4(sigmaaldrich)
[TCI AMERICA]

Hexadecanedioic Acid,>95.0%(GC)(505-54-4)
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