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2,3,5-Trimethylphenol

2,3,5-Trimethylphenol structure

CAS No:
697-82-5
Formula:
C9H12O
Chemical Name:
2,3,5-Trimethylphenol
Synonyms:
Phenol,2,3,5-trimethyl-;2,3,5-Trimethylphenol;Isopseudocumenol;1-Hydroxy-2,3,5-trimethylbenzene;6-Hydroxypseudocumene;NSC 5296;3,5,6-Trimethylphenol
Categories:
Active Pharmaceutical Ingredients > Other Chemical Drugs

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Description

White to off-white powder

2,3,5-trimethylphenol is a member of phenols. It derives from a hydride of a 1,2,4-trimethylbenzene.

2,3,5-Trimethylphenol Basic Attributes

Molecular Weight：

136.194

Exact Mass：

136.19

EC Number：

211-806-9

UNII：

1S1061ZBQ1

NSC Number：

5296

DSSTox ID：

DTXSID3047184

HScode：

2907199090

Characteristics

PSA：

20.2

XLogP3：

2.7

Appearance：

White to off-white powder

Density：

1.0±0.1 g/cm3

Melting Point：

93.5 °C

Boiling Point：

230.5 °C

Flash Point：

103.6±8.4 °C

Refractive Index：

1.536

Water Solubility：

H2O: insoluble

Storage Conditions：

Store in dark

Vapor Pressure：

9.75 mm Hg ( 60 °C)

Safety Information

Packing level：

III

Hazard category：

Transport codes：

UN 2430 8/PG 3

wgk germany：

hazard class code：

R36/37/38

safety instructions：

S26-S36/37/39-S45-S24/25

Marks：

Xi:Irritant;

Stability/Shelf Life：

Stable under normal temperatures and pressures.

Precautionary statement(s)：

P280-P305 + P351 + P338-P310

Hazard Statements：

H314

GHS Classification：

|Danger|H314 (38%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]|P260, P261, P264, P271, P280, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 150 companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Toxicity

Mobility：

4.07e+03 L/kg

2,3,5-Trimethylphenol Use and Manufacturing

Manufacturing Info：

Phenol, 2,3,5-trimethyl-: ACTIVE|Phenol, 2,3,5(or 3,4,5)-trimethyl-: INACTIVE

Computed Properties

Molecular Weight:136.19
XLogP3:2.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Exact Mass:136.088815002
Monoisotopic Mass:136.088815002
Topological Polar Surface Area:20.2
Heavy Atom Count:10
Complexity:111
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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