4-N-OCTYLBENZOIC ACID

CAS No.：3575-31-3

Important Notice

This product is a chemical product/pharmaceutical intermediate. It is not a drug, an active pharmaceutical ingredient (API), or a pharmaceutical-grade material. It has not been granted a drug approval number or a Chemical Drug Substance Approval Notice, has not passed drug-related review and approval, and is not manufactured, tested, or released in accordance with pharmaceutical GMP.
This product is intended solely for non-clinical research, process development, quality studies, further chemical processing, or chemical synthesis. It must not be used in drug-product manufacturing, clinical trials, clinical diagnosis, or administration to humans or animals, or be sold, used as an input, submitted for regulatory filing, or released as an API or pharmaceutical material.
The purchaser must not use this product, or supply it to another party, for personal consumption, sports or fitness, weight loss, health supplements, food, or animal feed.

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4-N-OCTYLBENZOIC ACID Basic information

Product Name:	4-N-OCTYLBENZOIC ACID
Synonyms:	p-octyl-benzoicaci;P-OCTYLBENZOIC ACID;P-N-OCTYL BENZOIC ACID;RARECHEM AL BE 0561;TIMTEC-BB SBB008601;4-octyl-benzoicaci;4-N-OCTYLBENZOIC ACID;4-OCTYLBENZOIC ACID
CAS:	3575-31-3
MF:	C15H22O2
MW:	234.33
EINECS:	222-692-5
Product Categories:	Benzoic Acids (Building Blocks for Liquid Crystals);Building Blocks for Liquid Crystals;Functional Materials;Building block;Liquid Crystals;Organic Electronics and Photonics;Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts;Fingolimod intermediate
Mol File:	3575-31-3.mol

4-N-OCTYLBENZOIC ACID Chemical Properties

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
form	powder to crystal
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 Information

Hazard Codes	Xn
Risk Statements	36/37-22
Safety Statements	22-24/25
WGK Germany	3
RTECS	DH5945000
TSCA	Yes
HS Code	29163990
Toxicity	LD50 ivn-mus: 56 mg/kg CSLNX* NX#10074

MSDS Information

Provider	Language
SigmaAldrich	English
ACROS	English
ALFA	English

4-N-OCTYLBENZOIC ACID Usage And Synthesis

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.]

4-N-OCTYLBENZOIC ACID Preparation Products And Raw materials

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