4-Hexylbenzoic acid

Modify Date: 2025-08-21 21:07:47

4-Hexylbenzoic acid Structure
4-Hexylbenzoic acid structure
Common Name 4-Hexylbenzoic acid
CAS Number 21643-38-9 Molecular Weight 206.281
Density 1.0±0.1 g/cm3 Boiling Point 330.3±21.0 °C at 760 mmHg
Molecular Formula C13H18O2 Melting Point 95-97 °C
MSDS Chinese USA Flash Point 157.5±16.7 °C

 Use of 4-Hexylbenzoic acid




 Names

Name 4-Hexylbenzoic acid
Synonym More Synonyms

 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

 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

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4-Hexylbenzoic acid Structure

4-Hexylbenzoic acid

CAS#:21643-38-9

Literature: Journal of Medicinal Chemistry, , vol. 31, # 1 p. 84 - 91

~%

4-Hexylbenzoic acid Structure

4-Hexylbenzoic acid

CAS#:21643-38-9

Literature: Journal of Medicinal Chemistry, , vol. 31, # 1 p. 84 - 91

~%

4-Hexylbenzoic acid Structure

4-Hexylbenzoic acid

CAS#:21643-38-9

Literature: Nature (London, United Kingdom), , vol. 162, p. 526 Journal of the Chemical Society, , p. 520

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4-Hexylbenzoic acid Structure

4-Hexylbenzoic acid

CAS#:21643-38-9

Literature: Z. Naturforsch., B: Anorg. Chem., Org. Chem., Biochem., Biophys.,, , vol. 27, p. 774 - 779

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4-Hexylbenzoic acid Structure

4-Hexylbenzoic acid

CAS#:21643-38-9

Literature: Journal of the Chemical Society, , p. 307

 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%

 Synonyms

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
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