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4-Heptylbenzoic Acid
[CAS# 38350-87-7]

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Identification
Classification Chemical reagent >> Organic reagent >> Aromatic acid
Name 4-Heptylbenzoic Acid
Synonyms 230642_Aldrich; Benzoic Acid, 4-Heptyl-
Molecular Structure CAS#: 38350-87-7, 4-Heptylbenzoic Acid
Molecular Formula C14H20O2
Molecular Weight 220.31
CAS Registry Number 38350-87-7
EINECS 253-894-1
SMILES C1=C(CCCCCCC)C=CC(=C1)C(O)=O
InChI 1S/C14H20O2/c1-2-3-4-5-6-7-12-8-10-13(11-9-12)14(15)16/h8-11H,2-7H2,1H3,(H,15,16)
InChIKey VSUKEWPHURLYTK-UHFFFAOYSA-N
Properties
Density 1.0±0.1g/cm3 (Cal.)
Melting point 102°C (Expl.)
Boiling point 345.2±21.0°C at 760 mmHg (Cal.)
Flash point 165.1±16.7°C (Cal.)
Safety Data
Safety Description CAUTION: May irritate eyes, skin, and respiratory tract
SDS Available
References
(1) A. J. Blake, I. A. Fallis, S. Parsons, M. Schröder and D. W. Bruce. 4-n-Heptylbenzoic Acid, Acta Cryst. (1995). C51, 2666-2668 
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