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4-(1-ADAMANTYL)PHENOL

4-(1-ADAMANTYL)PHENOL structure

CAS No:
29799-07-3
Formula:
C16H20O
Chemical Name:
4-(1-ADAMANTYL)PHENOL
Synonyms:
AKOS BC-0514;4-(1-ADAMANTYL)PHENOL;1-(4-HYDROXYPHENYL)ADAMANTANE;LABOTEST-BB LT00007821;IFLAB-BB F0701-0062;SALOR-INT L496022-1EA;P-(1-ADAMANTYL)PHENOL;Adamantylphenol
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

White Crystals

4-(1-ADAMANTYL)PHENOL Basic Attributes

Molecular Weight：

228.33

Exact Mass：

228.151413

UNII：

T35W8S7C9P

NSC Number：

111653

DSSTox ID：

DTXSID50183938

HScode：

2907199090

Characteristics

PSA：

20.2

XLogP3：

5.2

Density：

1.2±0.1 g/cm3

Melting Point：

181-183 °C(lit.)

Boiling Point：

361.6°C at 760 mmHg

Flash Point：

190.3±11.5 °C

Refractive Index：

1.612

Safety Information

Hazard category：

IRRITANT

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

36/37/38

safety instructions：

26-36-37/39

Marks：

Hazard note：

Irritant

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 39 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

4-(1-adamantyl)phenol

Computed Properties

Molecular Weight:228.33
XLogP3:5.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:228.151415257
Monoisotopic Mass:228.151415257
Topological Polar Surface Area:20.2
Heavy Atom Count:17
Complexity:259
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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