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5-n-Heneicosylresorcinol

5-n-Heneicosylresorcinol structure

CAS No:
70110-59-7
Formula:
C27H48O2
Chemical Name:
5-n-Heneicosylresorcinol
Synonyms:
1,3-Benzenediol,5-heneicosyl-;Resorcinol,5-heneicosyl-;5-Heneicosyl-1,3-benzenediol;5-Heneicosylresorcinol;5-n-Heneicosylresorcinol;1,3-Dihydroxy-5-n-heneicosylbenzene;1,3-Dihydroxy-5-heneicosylbenzene
Categories:
Analytical Chemistry > Standard

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Description

Solid

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

5-n-Heneicosylresorcinol Basic Attributes

Molecular Weight：

404.66882

Exact Mass：

404.67

DSSTox ID：

DTXSID50220397

Characteristics

PSA：

40.5

XLogP3：

9.07210

Density：

0.935g/cm3

Melting Point：

99 °C @ Solvent: Cyclohexane

Boiling Point：

526.7ºC at 760 mmHg

Flash Point：

214.9ºC

Refractive Index：

1.501

Water Solubility：

1.994e-006 mg/L @ 25 °C (est)

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-Heneicosylresorcinol Use and Manufacturing

Use Classification：

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

Computed Properties

Molecular Weight:404.7
XLogP3:12.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:20
Exact Mass:404.365430770
Monoisotopic Mass:404.365430770
Topological Polar Surface Area:40.5
Heavy Atom Count:29
Complexity:321
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 70110-59-7

Grade: Industrial Grade

Content: 99%

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