4-n-Heptylphenol
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4-n-Heptylphenol
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CAS No:
1987-50-4
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Formula:
C13H20O
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Chemical Name:
4-n-Heptylphenol
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Synonyms:
Phenol,4-heptyl-;Phenol,p-heptyl-;4-Heptylphenol;p-Hydroxyheptylbenzene;p-Heptylphenol;4-n-Heptylphenol;p-Hydroxy-n-heptylbenzene
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CAS No:
4-n-Heptylphenol Basic Attributes
192.3
192.30
217-862-0
I743Z35DVB
DTXSID2029036|DTXSID2037714
29071990
Characteristics
20.23000
3.90510
clear brown liquid after melting
0.9402 (estimate)
24 °C
165 °C
156°C/9mm
1.506-1.508
Safety Information
III
8
2430
34-41
45-36/37/39-26-39
C
|Danger|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P260, P261, P264, P270, P272, P273, P280, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P330, P333+P313, P363, P391, P405, and P501|Aggregated GHS information provided by 448 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|Warning|H302 (98.89%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P273, P280, P301+P312, P302+P352, P305+P351+P338, P321, P330, P332+P313, P337+P313, P362, P391, and P501|Aggregated GHS information provided by 451 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
4-n-Heptylphenol Use and Manufacturing
Used as raw material and intermediate of liquid crystal
Lubricants and lubricant additives
Phenol, 4-heptyl-: ACTIVE|Petroleum lubricating oil and grease manufacturing|Phenol, heptyl derivs.: ACTIVE
Computed Properties
Molecular Weight:192.30
XLogP3:4.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:6
Exact Mass:192.151415257
Monoisotopic Mass:192.151415257
Topological Polar Surface Area:20.2
Heavy Atom Count:14
Complexity:125
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes