4-Heptylbenzoic acid
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4-Heptylbenzoic acid
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CAS No:
38350-87-7
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Formula:
C14H20O2
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Chemical Name:
4-Heptylbenzoic acid
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Synonyms:
Benzoic acid,4-heptyl-;4-Heptylbenzoic acid;p-Heptylbenzoic acid
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CAS No:
4-Heptylbenzoic acid Basic Attributes
220.31
220.31
2047135
253-894-1
SE3Y941HMO
DTXSID9068089
29163990
Characteristics
37.30000
5.54
white micro-crystalline powder
1.0±0.1 g/cm3
101.5 °C
348.23°C (estimate)
165.1±16.7 °C
1.518
Safety Information
NONH for all modes of transport
3
36/37-22
37/39-26
Xn
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
4-Heptylbenzoic acid Use and Manufacturing
Used as liquid crystal intermediate
Benzoic acid, 4-heptyl-: INACTIVE
Computed Properties
Molecular Weight:220.31
XLogP3:5.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:7
Exact Mass:220.146329876
Monoisotopic Mass:220.146329876
Topological Polar Surface Area:37.3
Heavy Atom Count:16
Complexity:193
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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