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5-n-Tricosylresorcinol

5-n-Tricosylresorcinol structure

CAS No:
70110-60-0
Formula:
C29H52O2
Chemical Name:
5-n-Tricosylresorcinol
Synonyms:
1,3-Benzenediol,5-tricosyl-;5-Tricosyl-1,3-benzenediol;5-Tricosylresorcinol;5-n-Tricosylresorcinol;1,3-Dihydroxy-5-tricosylbenzene
Categories:
Natural Products > Phenols

Description

5-tricosylresorcinol is a 5-alkylresorcinol that is resorcinol which is substituted by a tricosyl group at position 5. It is found in wheat bran. It has a role as a plant metabolite and a bacterial metabolite.

5-n-Tricosylresorcinol Basic Attributes

Molecular Weight：

432.733

Exact Mass：

432.72

DSSTox ID：

DTXSID10220398

HScode：

2907299090

Characteristics

PSA：

40.5

XLogP3：

12.91

Density：

0.9±0.1 g/cm3

Melting Point：

100 °C @ Solvent: Cyclohexane

Boiling Point：

550.0±20.0 °C at 760 mmHg

Flash Point：

220.3±16.4 °C

Refractive Index：

1.499

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.

5-n-Tricosylresorcinol Use and Manufacturing

Use Classification：

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

Computed Properties

Molecular Weight:432.7
XLogP3:13.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:22
Exact Mass:432.396730897
Monoisotopic Mass:432.396730897
Topological Polar Surface Area:40.5
Heavy Atom Count:31
Complexity:347
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes