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3-Methylsalicylaldehyde

3-Methylsalicylaldehyde structure

CAS No:
824-42-0
Formula:
C8H8O2
Chemical Name:
3-Methylsalicylaldehyde
Synonyms:
Benzaldehyde,2-hydroxy-3-methyl-;2,3-Cresotaldehyde;2-Hydroxy-3-methylbenzaldehyde;o-Homosalicylaldehyde;3-Methylsalicylaldehyde;2-Hydroxy-m-tolualdehyde;3-Methyl-2-hydroxybenzaldehyde
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

Description

Clear light yellow liquid

3-methylsalicylaldehyde is a member of the class of benzaldehydes that is salicylaldehyde in which the hydrogen ortho- to the hydroxy group is substituted by a methyl group. It is a member of benzaldehydes and a member of phenols. It derives from a salicylaldehyde.

3-Methylsalicylaldehyde Basic Attributes

Molecular Weight：

136.15

Exact Mass：

136.15

DSSTox ID：

DTXSID40335060

HScode：

2912499000

Characteristics

PSA：

37.3

XLogP3：

2.2

Density：

1.123

Melting Point：

17 °C

Boiling Point：

55-57 °C @ Press: 1 Torr

Flash Point：

87 ºC

Refractive Index：

1.564

Safety Information

Transport codes：

NA 1993 / PGIII

wgk germany：

hazard class code：

R36/37/38

safety instructions：

S26-S36

Marks：

Xi: 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 41 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:136.15
XLogP3:2.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:136.052429494
Monoisotopic Mass:136.052429494
Topological Polar Surface Area:37.3
Heavy Atom Count:10
Complexity:122
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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