4-Pentylbenzoic acid

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Names

[ CAS No. ]:
26311-45-5

[ Name ]:
4-Pentylbenzoic acid

[Synonym ]:
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

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

MSDS

Click to get detail MSDS

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

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Hept-1-ene
  • 2-Oxo-2H-pyran-5-carboxylic acid
  • 4-Bromobenzoic acid
  • Pentyl magnesium bromide
  • Benzaldehyde, 4-pentyl-
  • n-Amylbenzene
  • Oxalyl chloride
  • 1-Iodopentane
  • 4-Iodobenzoic acid

DownStream

  • 4-Cyanophenyl 4-pentylbenzoate
  • 4-Pentylcyclohexanecarboxylic acid
  • 4-n-Pentylbenzoyl chloride
  • 4'-Pentylacetophenone
  • 1-(chloromethyl)-4-pentylbenzene
  • 4-Cyanobiphenyl-4'-pentylbenzoate
  • 4-methoxyphenyl trans-4-pentylcyclohexanoate
  • Benzonitrile, 4-pentyl-
  • 4-Pentylphenyl acetic acid
  • 2-AMINO-5-(4-AMYLPHENYL)-1,3,4-THIADIAZOLE

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%

Related Compounds

  • 3-Iodo-4-pentylbenzoic acid
  • 3-Bromo-4-pentylbenzoic acid
  • 2-fluoro-4-pentylbenzoic acid
  • 2,6-dihydroxy-4-pentylbenzoic acid
  • 3-iodo-4-pentylbenzoic acid ethyl ester
  • 3-iodo-4-pentylbenzoic acid methyl ester
  • tert-Butyl (2-oxa-5-azaspiro[3.5]nonan-8-yl)carbamate
  • tert-Butyl 8-hydroxy-2,5-diazaspiro[3.5]nonane-5-carboxylate
  • Tert-butyl 3-(2-aminoethyl)-4-oxopiperidine-1-carboxylate
  • Tert-butyl 2-(2-aminoacetyl)piperidine-1-carboxylate
  • 2-(1-Methyl-1H-indol-7-YL)acetic acid
  • Tert-butyl 3-(2-aminoacetyl)piperidine-1-carboxylate
  • 3-Iodo-d-phenylalanine hydrochloride
  • 3-Iodo-l-phenylalanine hydrochloride
  • 5-Amino-1-(4-methylpentyl)-1,2,3,4-tetrahydropyrimidine-2,4-dione
  • 1-(3,4,6,7-Tetrahydro-5H-[1,2,3]triazolo[4,5-c]pyridin-5-yl)ethan-1-one
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