4-Pentylbenzoic acid

Modify Date: 2024-01-08 21:13:38

4-Pentylbenzoic acid Structure
4-Pentylbenzoic acid structure
 Common Name 4-Pentylbenzoic acid
CAS Number 26311-45-5 Molecular Weight 192.254
Density 1.0±0.1 g/cm3 Boiling Point 315.3±21.0 °C at 760 mmHg
Molecular Formula C12H16O2 Melting Point 85-90 °C
MSDS Chinese USA Flash Point 149.7±16.7 °C

 Names

Name 4-Pentylbenzoic acid
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.0±0.1 g/cm3
Boiling Point 315.3±21.0 °C at 760 mmHg
Melting Point 85-90 °C
Molecular Formula C12H16O2
Molecular Weight 192.254
Flash Point 149.7±16.7 °C
Exact Mass 192.115036
PSA 37.30000
LogP 4.48
Vapour Pressure 0.0±0.7 mmHg at 25°C
Index of Refraction 1.527
Water Solubility insoluble

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DH6273000
CHEMICAL NAME :
Benzoic acid, p-pentyl-
CAS REGISTRY NUMBER :
26311-45-5
BEILSTEIN REFERENCE NO. :
2044798
LAST UPDATED :
199701
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C12-H16-O2
MOLECULAR WEIGHT :
192.28
WISWESSER LINE NOTATION :
QVR D5

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#10073

 Safety Information

Personal Protective Equipment dust mask type N95 (US);Eyeshields;Gloves
Hazard Codes Xi:Irritant;
Risk Phrases R36/37/38
Safety Phrases S26-S36
RIDADR NONH for all modes of transport
WGK Germany 3
RTECS DH6273000
HS Code 2916399090

 Synthetic Route

Hept-1-ene structure

Hept-1-ene

CAS#:592-76-7

2-Oxo-2H-pyran-5-carboxylic acid structure

2-Oxo-2H-pyran-...

CAS#:500-05-0

~86%

4-Pentylbenzoic acid Structure

4-Pentylbenzoic acid

CAS#:26311-45-5

Literature: Kraus, George A.; Riley, Sean; Cordes, Travis Green Chemistry, 2011 , vol. 13, # 10 p. 2734 - 2736
4-Bromobenzoic acid structure

4-Bromobenzoic acid

CAS#:586-76-5

Pentyl magnesium bromide structure

Pentyl magnesiu...

CAS#:693-25-4

~86%

4-Pentylbenzoic acid Structure

4-Pentylbenzoic acid

CAS#:26311-45-5

Literature: Bumagin, Nikolai A.; Luzikova, Elena V. Journal of Organometallic Chemistry, 1997 , vol. 532, # 1-2 p. 271 - 273
Benzaldehyde, 4-pentyl- structure

Benzaldehyde, 4...

CAS#:6853-57-2

~%

4-Pentylbenzoic acid Structure

4-Pentylbenzoic acid

CAS#:26311-45-5

Literature: Nakai; Konno; Kosuge; Sakuyama; Toda; Arai; Obata; Katsube; Miyamoto; Okegawa; Kawasaki Journal of Medicinal Chemistry, 1988 , vol. 31, # 1 p. 84 - 91
n-Amylbenzene structure

n-Amylbenzene

CAS#:538-68-1

~%

4-Pentylbenzoic acid Structure

4-Pentylbenzoic acid

CAS#:26311-45-5

Literature: Nakai; Konno; Kosuge; Sakuyama; Toda; Arai; Obata; Katsube; Miyamoto; Okegawa; Kawasaki Journal of Medicinal Chemistry, 1988 , vol. 31, # 1 p. 84 - 91
Oxalyl chloride structure

Oxalyl chloride

CAS#:79-37-8

n-Amylbenzene structure

n-Amylbenzene

CAS#:538-68-1

~%

4-Pentylbenzoic acid Structure

4-Pentylbenzoic acid

CAS#:26311-45-5

Literature: Fahim Nature (London, United Kingdom), 1948 , vol. 162, p. 526 Journal of the Chemical Society, 1949 , p. 520
1-Iodopentane structure

1-Iodopentane

CAS#:628-17-1

4-Iodobenzoic acid structure

4-Iodobenzoic acid

CAS#:619-58-9

~%

4-Pentylbenzoic acid Structure

4-Pentylbenzoic acid

CAS#:26311-45-5

Literature: Oates, Leslie J.; Jackson, Richard F.W.; Block, Michael H. Organic and Biomolecular Chemistry, 2003 , vol. 1, # 1 p. 140 - 144

 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

RARECHEM AL BO 0846
4-Amylbenzoic Acid
p-n-Amylbenzoic acid
Benzoic acid, 4-pentyl-
4-Pentylbenzoic acid
4-pentyloxybenzoic acid
p-pentyl-benzoicaci
4-n-pentyl benzoic acid
4-amyl benzoic acid
p-Pentylbenzoic Acid
p-Pentyl benzoic acid
4-pentyl-benzoicaci
MFCD00002572
p-amylbenzoicacid
4-N-AMYLBENZOIC ACID
EINECS 247-607-9
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