4-Hexylbenzoic acid

Names

[ Name ]:
4-Hexylbenzoic acid

[Synonym ]:
para-n-hexyl benzoic acid
4-n-Hexylbenzoic acid
MFCD00013997
p-n-Hexylbenzoic acid
Benzoic acid, p-hexyl-
Benzoic acid, 4-hexyl-
Benzoic acid,4-hexyl
4-Hexylbenzoic acid
4-hexyl-benzoic acid
p-Hexylbenzoic acid
EINECS 244-490-6
BENZOIC ACID,p-HEXYL
QVR D6

Chemical & Physical Properties

[ Density]:
1.0±0.1 g/cm3

[ Boiling Point ]:
330.3±21.0 °C at 760 mmHg

[ Melting Point ]:
95-97 °C

[ Molecular Formula ]:
C₁₃H₁₈O₂

[ Molecular Weight ]:
206.281

[ Flash Point ]:
157.5±16.7 °C

[ Exact Mass ]:
206.130676

[ PSA ]:
37.30000

[ LogP ]:
5.01

[ Vapour Pressure ]:
0.0±0.8 mmHg at 25°C

[ Index of Refraction ]:
1.522

[ Water Solubility ]:
methanol: 0.1 g/mL, clear

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: DH1485000

CHEMICAL NAME :: Benzoic acid, p-hexyl-

CAS REGISTRY NUMBER :: 21643-38-9

BEILSTEIN REFERENCE NO. :: 2046454

LAST UPDATED :: 199701

DATA ITEMS CITED :: 2

MOLECULAR FORMULA :: C13-H18-O2

MOLECULAR WEIGHT :: 206.31

WISWESSER LINE NOTATION :: QVR D6

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 56 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#09965

Safety Information

[ Personal Protective Equipment ]:
Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter

[ Hazard Codes ]:
Xn: Harmful;

[ Risk Phrases ]:
R36/37

[ Safety Phrases ]:
S22-S24/25

[ RIDADR ]:
NONH for all modes of transport

[ WGK Germany ]:
3

[ RTECS ]:
DH1485000

[ HS Code ]:
2916399090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

DownStream

Preparation

Customs

[ HS Code ]: 2916399090

[ Summary ]:
2916399090 other aromatic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%