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1-Adamantanol

1-Adamantanol structure

CAS No:
768-95-6
Formula:
C10H16O
Chemical Name:
1-Adamantanol
Synonyms:
Tricyclo[3.3.1.13,7]decan-1-ol;1-Adamantanol;1-Hydroxyadamantane;1-Adamantyl alcohol;NSC 108837;NSC 91633
Categories:
Chemical Reagents > Organic Reagents

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Description

white to off-white crystalline powder or needles

1-Adamantanol Basic Attributes

Molecular Weight：

152.23

Exact Mass：

152.23

BRN：

1903952

EC Number：

212-202-8

UNII：

P9J0B0C8ZB

NSC Number：

108837|91633

DSSTox ID：

DTXSID10227620

HScode：

29061900

Characteristics

PSA：

20.2

XLogP3：

2.1

Appearance：

White to off-white Crystalline Powder or Needles

Density：

1.2±0.1 g/cm3

Melting Point：

282 °C

Boiling Point：

245.8ºC at 760 mmHg

Flash Point：

240°C

Refractive Index：

1.581

Water Solubility：

soluble in ethanol , methanol, and diethyl ether. Partly miscible in water.

Storage Conditions：

2-8°C

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

36/37/38

safety instructions：

22-24/25-36-26

RTECS Number：

AU4980000

Marks：

Hazard note：

Irritant

Stability/Shelf Life：

Stable under normal temperatures and pressures.

Precautionary statement(s)：

P280, P305+P351+P338, P310

Hazard Statements：

H318

GHS Classification：

|Warning|H228 (33.33%): Flammable solid [Danger Flammable solids]|P210, P240, P241, 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, P370+P378, P403+P233, P405, and P501|Aggregated GHS information provided by 3 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

1-adamantanol

1-Adamantanol Use and Manufacturing

1-adamantanol is used as an intermediate for the synthesis of adamantane. Used in the manufacture of synthetic adamantane derivatives and adabalin. With the reaction of vinylidene chloride, 1-adamantane acetic acid can be obtained.

Computed Properties

Molecular Weight:152.23
XLogP3:2.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Exact Mass:152.120115130
Monoisotopic Mass:152.120115130
Topological Polar Surface Area:20.2
Heavy Atom Count:11
Complexity:144
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Acetic acid

Dimethylformamide

Trifluoroacetic acid

Hydrochloric acid

Sodium thiosulfate

Oxygen

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