4-Octylbenzoic acid

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Names

[ CAS No. ]:
3575-31-3

[ Name ]:
4-Octylbenzoic acid

[Synonym ]:
EINECS 222-692-5
p-n-Octyl benzoic acid
4-Octylbenzoic acid
4-n-Octylbenzoic acid
Benzoic acid,4-octyl
4-n-Octyl-benzol-carbonsaeure-(1)
4-octyl-benzoic acid
MFCD00042649
Benzoic acid, 4-octyl-
p-Octylbenzoic acid
BENZOIC ACID,p-OCTYL
4-Octyl-benzoesaeure
Para-octylbenzoic acid

Chemical & Physical Properties

[ Density]:
1.0±0.1 g/cm3

[ Boiling Point ]:
359.9±21.0 °C at 760 mmHg

[ Melting Point ]:
97-98 °C(lit.)

[ Molecular Formula ]:
C15H22O2

[ Molecular Weight ]:
234.334

[ Flash Point ]:
172.6±16.7 °C

[ Exact Mass ]:
234.161987

[ PSA ]:
37.30000

[ LogP ]:
6.07

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

[ Index of Refraction ]:
1.515

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DH5945000
CHEMICAL NAME :
Benzoic acid, p-octyl-
CAS REGISTRY NUMBER :
3575-31-3
BEILSTEIN REFERENCE NO. :
1954607
LAST UPDATED :
199701
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C15-H22-O2
MOLECULAR WEIGHT :
234.37
WISWESSER LINE NOTATION :
QVR D8

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#10074

Safety Information

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

[ Hazard Codes ]:
Xn: Harmful;

[ Risk Phrases ]:
36/37-22

[ Safety Phrases ]:
S22-S24/25

[ RIDADR ]:
NONH for all modes of transport

[ WGK Germany ]:
3

[ RTECS ]:
DH5945000

[ HS Code ]:
2916399090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 2-Oxo-2H-pyran-5-carboxylic acid
  • 1-decene
  • 4-Octylbenzaldehyde
  • Methyl 4-octylbenzoate
  • 1-Phenyloctane
  • p-Octylacetophenone
  • Oxalyl chloride
  • Nonanoyl chloride
  • Nonanoic acid
  • 1-Phenyl-1-nonanone

DownStream

  • 4-octylbenzoyl chloride
  • 1-(bromomethyl)-4-octylbenzene
  • (4-formylphenyl) 4-octylbenzoate

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

  • 4-octylbenzoic acid chloride
  • 2,3-difluoro-4-octylbenzoic acid
  • 3,4-di-n-octylbenzoic acid
  • 4-(2,4,4-trimethylpentan-2-yl)benzoic acid
  • 4-octanoyloxybenzenesulfonic acid
  • 4-Cyanobenzoic acid
  • 2-(4-fluorophenyl)-N-(3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl)acetamide
  • 5-chloro-N-(3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl)thiophene-2-carboxamide
  • N-(3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl)quinoxaline-2-carboxamide
  • N-(3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl)-3-(phenylthio)propanamide
  • 4-[(5-Methyl-1,3,4-thiadiazol-2-yl)sulfanyl]piperidine hydrochloride
  • 5-chloro-2-methoxy-N-(3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl)benzamide
  • N-(3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl)-5-phenylisoxazole-3-carboxamide
  • N-(3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl)-1-(thiophen-2-yl)cyclopentanecarboxamide
  • 3-(2-chlorophenyl)-5-methyl-N-(3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl)isoxazole-4-carboxamide
  • N-(3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl)cyclohex-3-enecarboxamide
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