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1,3-Adamantanediol

1,3-Adamantanediol structure

CAS No:
17071-62-4
Formula:
C10H16O2
Chemical Name:
1,3-Adamantanediol
Synonyms:
1,3-Adamantanediol;AdaMantane-1,3-diyldiMethanol;1,3-ADAMANTANEDIMETHANOL;[3-(hydroxymethyl)adamantan-1-yl]methanol;1,3-ADAMANTANEDIMETHANOL;[3-(hydroxymethyl)-1-adamantyl]methanol
Categories:
Specialty Chemicals

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Description

White powder

1,3-Adamantanediol Basic Attributes

Molecular Weight：

168.23

Exact Mass：

196.146332

EC Number：

1533716-785-6

HScode：

29061990

Characteristics

PSA：

40.46000

XLogP3：

1.17

Density：

1.368

Melting Point：

180.5-182.0 °C(Solv: methanol (67-56-1))

Boiling Point：

335.7±10.0 °C(Predicted)

Flash Point：

158.5℃

Refractive Index：

1.657

Safety Information

Precautionary statement(s)：

P264, P280, P305+P351+P338, P33, P313

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.

1,3-Adamantanediol Use and Manufacturing

1,3-adamantane dimethanol is an important fine organic chemical intermediate, widely used in medicine, pesticides, chemical industry and other fields.

Computed Properties

Molecular Weight:196.29
XLogP3:1.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:196.146329876
Monoisotopic Mass:196.146329876
Topological Polar Surface Area:40.5
Heavy Atom Count:14
Complexity:213
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes