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2-Methylbenzyl alcohol

2-Methylbenzyl alcohol structure

CAS No:
89-95-2
Formula:
C8H10O
Chemical Name:
2-Methylbenzyl alcohol
Synonyms:
Benzenemethanol,2-methyl-;Benzyl alcohol,o-methyl-;2-Methylbenzenemethanol;o-Methylbenzyl alcohol;o-Tolyl alcohol;2-Methylbenzyl alcohol;o-Tolualcohol;α-Hydroxy-o-xylene;o-Tolylmethanol;NSC 91;(2-Tolyl)methanol;(2-Methylphenyl)methanol;2-(Methyl)-1-(hydroxymethyl)benzene;185532-95-0
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Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

white crystalline low melting solid

2-Methylbenzyl alcohol Basic Attributes

Molecular Weight：

122.16

Exact Mass：

122.16

BRN：

1929783

EC Number：

201-954-2

UNII：

7L3M6Y04NC

NSC Number：

DSSTox ID：

DTXSID8059001

HScode：

29339990

Characteristics

PSA：

20.2

XLogP3：

1.6

Density：

1.02189 g/cm³ @ Temp: 19.8 °C

Melting Point：

38 °C

Boiling Point：

224 °C

Flash Point：

220 °F

Refractive Index：

n20/D 1.5408(lit.)

Water Solubility：

methanol: 0.1 g/mL, clear

Storage Conditions：

Store below +30°C.

Vapor Pressure：

0.75 mm Hg ( 86 °C)

Safety Information

Packing level：

Ⅲ

Transport codes：

1759

wgk germany：

hazard class code：

36/37/38-41-22

safety instructions：

22-24/25-37/39-26-39

Marks：

Xi,Xn

Precautionary statement(s)：

P280-P305 + P351 + P338

Hazard Statements：

H302-H318

GHS Classification：

|Danger|H302 (90.48%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P280, P301+P312, P305+P351+P338, P310, P330, and P501|Aggregated GHS information provided by 42 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

Metabolism/Metabolites：

2 Methylbenzylalcohol is a known human metabolite of o-xylene.

MeSH Entry Terms：

2-methylbenzyl alcohol

Computed Properties

Molecular Weight:122.16
XLogP3:1.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:122.073164938
Monoisotopic Mass:122.073164938
Topological Polar Surface Area:20.2
Heavy Atom Count:9
Complexity:80.6
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 89-95-2

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