26311-45-5

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26311-45-5 Structure

Identification	More
[Name] 4-Pentylbenzoic acid
[CAS] 26311-45-5
[Synonyms] 4-AMYLBENZOIC ACID 4-N-AMYLBENZOIC ACID 4-N-PENTYLBENZOIC ACID 4-PENTYLBENZOIC ACID LABOTEST-BB LT00159035 P-N-PENTYL BENZOIC ACID P-PENTYLBENZOIC ACID RARECHEM AL BO 0846 TIMTEC-BB SBB007808 4-pentyl-benzoicaci Benzoic acid, 4-pentyl- Benzoic acid, p-pentyl- p-Amylbenzoic acid p-amylbenzoicacid para-Pentylbenzoic acid p-n-Amylbenzoic acid p-pentyl-benzoicaci 4-Phentylbenzoic acid
[EINECS(EC#)] 247-607-9
[Molecular Formula] C12H16O2
[MDL Number] MFCD00002572
[Molecular Weight] 192.25
[MOL File] 26311-45-5.mol

Chemical Properties	Back Directory
[Appearance] white to light yellow crystalline powder
[Melting point ] 85-90 °C
[Boiling point ] 261 °C (746 mmHg)
[density ] 1.0430
[refractive index ] 1.5207 (estimate)
[storage temp. ] Sealed in dry,Room Temperature
[solubility ] soluble in Ether, Alcohol
[form ] powder to crystal
[pka] 4.35±0.10(Predicted)
[color ] Colorless liquid
[Water Solubility ] insoluble
[Usage] Intermediates of Liquid Crystals
[BRN ] 2044798
[InChI] 1S/C12H16O2/c1-2-3-4-5-10-6-8-11(9-7-10)12(13)14/h6-9H,2-5H2,1H3,(H,13,14)
[InChIKey] CWYNKKGQJYAHQG-UHFFFAOYSA-N
[SMILES] CCCCCc1ccc(cc1)C(O)=O
[CAS DataBase Reference] 26311-45-5(CAS DataBase Reference)
[NIST Chemistry Reference] 4-n-Pentylbenzoic acid(26311-45-5)
[EPA Substance Registry System] 26311-45-5(EPA Substance)

Safety Data	Back Directory
[Symbol(GHS) ] GHS07
[Signal word ] Warning
[Hazard statements ] H315-H319-H335
[Precautionary statements ] P261-P280a-P304+P340-P305+P351+P338-P405-P501a-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
[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 ] 3
[RTECS ] DH6273000
[TSCA ] Yes
[HS Code ] 29163990
[Storage Class] 11 - Combustible Solids
[Toxicity] LD50 ivn-mus: 56 mg/kg CSLNX* NX#10073 CONSENSUS REPORTS: Reported in EPA TSCA

Raw materials And Preparation Products	Back Directory
[Raw materials] Oxygen
[Preparation Products] 2-Amino-5-(4-amylphenyl)-1,3,4-thiadiazole-->4-Cyanophenyl 4-pentylbenzoate-->4-Pentylbenzamide

Material Safety Data Sheet(MSDS)	Back Directory
[msds information] 4-Pentylbenzoic acid(26311-45-5).msds

Hazard Information	Back Directory
[Chemical Properties] white to light yellow crystalline powder
[Uses] Intermediates of Liquid Crystals
[Safety Profile] Poison by intravenous route. When heated to decomposition it emits acrid smoke and irritating fumes.

Spectrum Detail	Back Directory
[Spectrum Detail] 4-Pentylbenzoic acid(26311-45-5)MS 4-Pentylbenzoic acid(26311-45-5)¹HNMR 4-Pentylbenzoic acid(26311-45-5)IR1 4-Pentylbenzoic acid(26311-45-5)IR2 4-Pentylbenzoic acid(26311-45-5)Raman

Well-known Reagent Company Product Information	Back Directory
[Acros Organics] 4-Pentylbenzoic acid, 99%(26311-45-5)
[Alfa Aesar] 4-n-Pentylbenzoic acid, 99%(26311-45-5)
[Sigma Aldrich] 26311-45-5(sigmaaldrich)
[TCI AMERICA] 4-Amylbenzoic Acid,>98.0%(T)(26311-45-5)

26311-45-5 suppliers list

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