Basic information
- CAS
698-27-1- Standard SMILES
Cc1ccc(C=O)c(O)c1- InChIKey
JODRRPJMQDFCBJ-UHFFFAOYSA-N- Molecular formula
- C8H8O2
- Average molar mass
- 136.15 g/mol
- Monoisotopic mass
- 136.0524295
Overview
2-Hydroxy-4-methylbenzaldehyde is a hydroxybenzaldehyde.
Names & identifiers
- Preferred name
- 2-Hydroxy-4-methylbenzaldehyde
- IUPAC
- 2-hydroxy-4-methylbenzaldehyde
- English name
- 2-Hydroxy-4-methylbenzaldehyde
- Molecular formula
- C8H8O2
- Molecular weight
- 136.15
Names & synonyms
2-Hydroxy-4-methylbenzaldehyde4-Methylsalicylaldehyde2,4-CresotaldehydeBENZALDEHYDE, 2-HYDROXY-4-METHYL-2-Hydroxy-4-methyl-benzaldehyde2-Formyl-5-methylphenol4-Methyl-2-hydroxybenzaldehydem-Homosalicylaldehyde4-Methylsalicyclic aldehydeHomosalicylaldehyde, m-4-Methyl salicylaldehydeFEMA No. 3697
Show more names
2-HYDROXY-4-METHYLBENZ4-Methylsalicylaldehyde>2-Hydroxy-4-methylbenzaldehyde2-HYDROXY-4-METHYLBENZALDEHYDE 98+%2-Hydroxy-4-Methylbenzaldehyde, 97+%2-HYDROXY-4-METHYLBENZALDEHYDE USP/EP/BP2-Hydroxy-4-methylbenzaldehyde, 10 mM in DMSO
UNII-9N0S26G61Jm-Cresol-6-aldehydeDTXSID20744079N0S26G61J2-hydroxy-p-tolualdehydeEINECS 211-813-7FEMA 36972-HYDROXY-4-METHYL BENZALDEHYDE [FHFI]
Database identifiers
- CAS
698-27-1
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 122
Experimental & physicochemical properties
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Flavoring AgentsEU Flavoring substances
Solubility
very slightly
insoluble in water; soluble in organic solvents, oils
freely soluble (in ethanol)
Boiling Point
760.00 to 223.00 °C. @ 760.00 mm Hg
207 °C
Melting Point60 - 61 °C
Physical Description
Solid
colourless to light straw crystals with a strong, bitter-almond, phenolic odour
Physicochemical properties
- Melting point
- 58 · 58-61 °C (lit.)
- Boiling point
- 222 · 222-223℃
- Density
- 1.115 · 1.1150 (rough estimate)
- refractive index
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (83.6%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 280 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: Benzaldehyde, 2-hydroxy-4-methyl-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Benzaldehyde, 2-hydroxy-4-methyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAcute Tox. 4 (83.6%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- PG3
- hs_code
- 29124900
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Uses & manufacturing
Use Classification
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing InformationBenzaldehyde, 2-hydroxy-4-methyl-: ACTIVE
Applications
Description2-Hydroxy-4-methylbenzaldehyde is strongly odorous.
OccurrenceReported found in licorice.
UsesThe intermediate for synthesis of liquid crystal. Also used as pharmaceutical intermediate.
Upstream & downstream products
Downstream products
Suppliers100 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
Related reactions
29 records
Compound notes
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