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5-(1,1-Dimethylheptyl)resorcinol

5-(1,1-Dimethylheptyl)resorcinol structure

CAS No:
56469-10-4
Formula:
C15H24O2
Chemical Name:
5-(1,1-Dimethylheptyl)resorcinol
Synonyms:
1,3-Benzenediol,5-(1,1-dimethylheptyl)-;5-(1,1-Dimethylheptyl)-1,3-benzenediol;5-(1,1-Dimethylheptyl)resorcinol;5-(1,1-Dimethylheptyl)benzene-1,3-diol
Categories:
Pharmaceutical Intermediates > Antineoplastics

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Description

Off-White to Light Beige Solid

5-(1,1-Dimethylheptyl)resorcinol Basic Attributes

Molecular Weight：

236.35

Exact Mass：

236.35

EC Number：

260-193-4

DSSTox ID：

DTXSID70205020

HScode：

2907299090

Characteristics

PSA：

40.5

XLogP3：

5.6

Density：

1.0±0.1 g/cm3

Melting Point：

99 °C

Boiling Point：

161-163 °C @ Press: 0.5 Torr

Flash Point：

162.4±14.2 °C

Refractive Index：

1.520

Safety Information

hazard class code：

R36/37/38

safety instructions：

26-36

GHS Classification：

|Warning|H302 (20%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 5 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

5-(1,1-Dimethylheptyl)resorcinol Use and Manufacturing

Nabilone intermediate.

Computed Properties

Molecular Weight:236.35
XLogP3:5.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:6
Exact Mass:236.177630004
Monoisotopic Mass:236.177630004
Topological Polar Surface Area:40.5
Heavy Atom Count:17
Complexity:203
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 5-(1,1-Dimethylheptyl)resorcinol

Description
Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
Latest News
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5-(1,1-Dimethylheptyl)resorcinol

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