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3575-31-3

3575-31-3 Structure

3575-31-3 Structure
IdentificationMore
[Name]

4-N-OCTYLBENZOIC ACID
[CAS]

3575-31-3
[Synonyms]

4-N-OCTYLBENZOIC ACID
4-OCTYLBENZOIC ACID
P-N-OCTYL BENZOIC ACID
P-OCTYLBENZOIC ACID
RARECHEM AL BE 0561
TIMTEC-BB SBB008601
4-octyl-benzoicaci
p-octyl-benzoicaci
4-OCTYLBENZOIC ACID, LIQUID CRYSTAL
4-n-Octylbenzoicacid,99%
4-N-OCTYLBENZOIC ACID 98+%
[EINECS(EC#)]

222-692-5
[Molecular Formula]

C15H22O2
[MDL Number]

MFCD00042649
[Molecular Weight]

234.33
[MOL File]

3575-31-3.mol
Chemical PropertiesBack Directory
[Appearance]

white needles or powder
[Melting point ]

97-98 °C(lit.)
[Boiling point ]

361.43°C (estimate)
[density ]

1.002
[refractive index ]

1.5262 (estimate)
[storage temp. ]

Sealed in dry,Room Temperature
[pka]

4.36±0.10(Predicted)
[color ]

Crystals from EtOH (aq)
[Water Solubility ]

Soluble in methanol, hot hexane, hot ethanol and 2-propanol and toluene. Insoluble in water.
[BRN ]

1954607
[CAS DataBase Reference]

3575-31-3(CAS DataBase Reference)
[EPA Substance Registry System]

Benzoic acid, 4-octyl- (3575-31-3)
Safety DataBack Directory
[Hazard Codes ]

Xn
[Risk Statements ]

R36/37:Irritating to eyes and respiratory system .
R22:Harmful if swallowed.
[Safety Statements ]

S22:Do not breathe dust .
S24/25:Avoid contact with skin and eyes .
[WGK Germany ]

3
[RTECS ]

DH5945000
[TSCA ]

Yes
[HS Code ]

29163990
[Toxicity]

LD50 ivn-mus: 56 mg/kg CSLNX* NX#10074
Hazard InformationBack Directory
[Chemical Properties]

white needles or powder
[Uses]

4-n-Octylbenzoic acid is used as a pharmaceutical intermediate.
[Safety Profile]

Poison by intravenous route.When heated to decomposition it emits acrid smoke andirritating fumes.
[Purification Methods]

When crystallised from EtOH it has m 139o, but when crystallised from aqueous EtOH it has m 99-100o. It forms liquid crystals. [Beilstein 9 H 571, 9 III 2611.]
Spectrum DetailBack Directory
[Spectrum Detail]

4-N-OCTYLBENZOIC ACID(3575-31-3)MS
4-N-OCTYLBENZOIC ACID(3575-31-3)1HNMR
4-N-OCTYLBENZOIC ACID(3575-31-3)13CNMR
4-N-OCTYLBENZOIC ACID(3575-31-3)IR1
4-N-OCTYLBENZOIC ACID(3575-31-3)IR2
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

4-Octylbenzoic acid, 99%(3575-31-3)
[Alfa Aesar]

4-n-Octylbenzoic acid, 99%(3575-31-3)
[Sigma Aldrich]

3575-31-3(sigmaaldrich)
[TCI AMERICA]

4-n-Octylbenzoic Acid,>97.0%(GC)(T)(3575-31-3)
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