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5-Nonadecylresorcinol

5-Nonadecylresorcinol structure

CAS No:
35176-46-6
Formula:
C25H44O2
Chemical Name:
5-Nonadecylresorcinol
Synonyms:
1,3-Benzenediol,5-nonadecyl-;Resorcinol,5-nonadecyl-;5-Nonadecyl-1,3-benzenediol;5-Nonadecylresorcinol;5-n-Nonadecylresorcinol;1,3-Dihydroxy-5-nonadecylbenzene
Categories:
Analytical Chemistry > Standard

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Description

Solid

5-Nonadecyl-1,3-benzenediol is a member of resorcinols.

5-Nonadecylresorcinol Basic Attributes

Molecular Weight：

376.625

Exact Mass：

376.62

DSSTox ID：

DTXSID50188665

HScode：

2907299090

Characteristics

PSA：

40.5

XLogP3：

8.29190

Density：

0.942g/cm3

Melting Point：

97 °C @ Solvent: Cyclohexane

Boiling Point：

502.7ºC at 760mmHg

Flash Point：

209.1ºC

Refractive Index：

1.503

Storage Conditions：

2-8°C

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

safety instructions：

Marks：

Precautionary statement(s)：

P305 + P351 + P338

Hazard Statements：

H319

GHS Classification：

|Warning|H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]|P264, P280, P305+P351+P338, and P337+P313|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory.

Drug Information

MeSH Entry Terms：

5-(n-nonadecyl)resorcinol

5-Nonadecylresorcinol Use and Manufacturing

Use Classification：

Lipids -> Polyketides [PK] -> Phenolic lipids [PK15] -> Alkyl resorcinols and derivatives [PK1503]

Computed Properties

Molecular Weight:376.6
XLogP3:11.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:18
Exact Mass:376.334130642
Monoisotopic Mass:376.334130642
Topological Polar Surface Area:40.5
Heavy Atom Count:27
Complexity:295
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes