3575-31-3

Name 4-N-OCTYLBENZOIC ACID
CAS 3575-31-3
EINECS(EC#) 222-692-5
Molecular Formula C15H22O2
MDL Number MFCD00042649
Molecular Weight 234.33
MOL File 3575-31-3.mol
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Chemical Properties

Appearance white needles or powder
Melting point  97-98 °C(lit.)
Boiling point  361.43°C (estimate)
density  1.002
refractive index  1.5262 (estimate)
storage temp.  Sealed in dry,Room Temperature
form  powder to crystal
pka 4.36±0.10(Predicted)
color  Crystals from EtOH (aq)
Water Solubility  Soluble in methanol, hot hexane, hot ethanol and 2-propanol and toluene. Insoluble in water.
BRN  1954607
InChI 1S/C15H22O2/c1-2-3-4-5-6-7-8-13-9-11-14(12-10-13)15(16)17/h9-12H,2-8H2,1H3,(H,16,17)
InChIKey ZQLDNJKHLQOJGE-UHFFFAOYSA-N
SMILES CCCCCCCCc1ccc(cc1)C(O)=O
CAS DataBase Reference 3575-31-3(CAS DataBase Reference)
EPA Substance Registry System Benzoic acid, 4-octyl- (3575-31-3)

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H315-H319-H227
Precautionary statements  P501-P210-P264-P280-P302+P352-P370+P378-P337+P313-P305+P351+P338-P362+P364-P332+P313-P403+P235
Hazard Codes  Xn
Risk Statements 
R36/37:Irritating to eyes and respiratory system .
R22:Harmful if swallowed.
Safety Statements 
S22:Do not breathe dust .
S24/25:Avoid contact with skin and eyes .
WGK Germany  3
RTECS  DH5945000
TSCA  Yes
HS Code  29163990
Storage Class 11 - Combustible Solids
Toxicity
LD50 ivn-mus: 56 mg/kg CSLNX* NX#10074

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