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1,3-Bis(3-hydroxy-3-pentyl)benzene

1,3-Bis(3-hydroxy-3-pentyl)benzene structure

CAS No:
676465-94-4
Formula:
C16H26O2
Chemical Name:
1,3-Bis(3-hydroxy-3-pentyl)benzene
Synonyms:
1,3-Bis(3-hydroxy-3-pentyl)benzene;ACMC-209o0e;SCHEMBL5950522;CTK8B2145;DTXSID50659825;3,3"-(m-Phenylene)di-3-pentanol;1,3-Bis(3-hydroxy-3-amyl)benzene;ANW-35388;ZINC45028206;1,3-Bis(1-ethyl-1-hydroxypropyl)benzene

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1,3-Bis(3-hydroxy-3-pentyl)benzene Basic Attributes

Molecular Weight：

250.37644

Exact Mass：

250.19300

DSSTox ID：

DTXSID50659825

Characteristics

PSA：

40.5

XLogP3：

3.70180

Density：

0.998g/cm3

Melting Point：

89.5-90.5 °C(Solv: hexane (110-54-3))

Boiling Point：

358.844ºC at 760 mmHg

Flash Point：

159.223ºC

Refractive Index：

1.513

Safety Information

Precautionary statement(s)：

P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, P362

Hazard Statements：

H315

GHS Classification：

|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.

Computed Properties

Molecular Weight:250.38
XLogP3:3.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:6
Exact Mass:250.193280068
Monoisotopic Mass:250.193280068
Topological Polar Surface Area:40.5
Heavy Atom Count:18
Complexity:218
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1,3-Bis(3-hydroxy-3-pentyl)benzene

Basic Attributes
Characteristics
Safety Information
Computed Properties

1,3-Bis(3-hydroxy-3-pentyl)benzene

SDS

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