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
  • (2S,4R)-1-[(2S)-2-[[2-[2-(2-aminophenoxy)ethoxy]acetyl]amino]-3,3-dimethyl-butanoyl]-4-hydroxy-N-[[4-(4-methylthiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide
  • (2S,4R)-1-[(2S)-2-[[2-[2-(3-aminophenoxy)ethoxy]acetyl]amino]-3,3-dimethyl-butanoyl]-4-hydroxy-N-[[4-(4-methylthiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide
  • (2S,4R)-1-[(2S)-2-[[2-[2-(4-aminophenoxy)ethoxy]acetyl]amino]-3,3-dimethyl-butanoyl]-4-hydroxy-N-[[4-(4-methylthiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide
  • (2S,4R)-1-[(2S)-3,3-dimethyl-2-(11-oxoundecanoylamino)butanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methylthiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide
  • (2S,4R)-1-[(2S)-3,3-dimethyl-2-(7-piperazin-1-ylheptanoylamino)butanoyl]-4-hydroxy-N-[[4-(4-methylthiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide
  • [(3R,5S)-1-[(2R)-2-(7-aminoheptanoylamino)-3,3-dimethyl-butanoyl]-5-[[4-(4-methylthiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-3-yl] 2-methylpropanoate
  • (2S,4R)-1-[(2S)-2-(11-aminoundecanoylamino)-3,3-dimethyl-butanoyl]-4-methoxy-N-[[4-(4-methylthiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide
  • (2S,4R)-1-[(2S)-2-(12-aminododecanoylamino)-3,3-dimethyl-butanoyl]-4-hydroxy-N-[[4-(4-methylthiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide
  • (2S,4R)-1-[(2S)-3,3-dimethyl-2-[[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]acetyl]amino]butanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methylthiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide
  • 1-[1-(4-Ethoxy-3-methoxyphenyl)cyclopropyl]ethan-1-amine
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