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Vanillin 98%

CAT: 0286-V00720-01Size: 100 gDry Ice: NoHazardous: No
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CAT#:0286-V00720-01Size:100 g
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CAS Number
121-33-5
Synonyms
4-Hydroxy-3-methoxybenzaldehyde; Vanillic aldehyde; 3-Methoxy-4-hydroxybenzaldehyde; Methoxyprotocatechuic aldehyde; Methylprotocatechuic aldehyde
Pictogram
07 - Irritant; 08 - Health Hazard
UDF Signal Word
Warning
MDL Number
MFCD00006942
Hazard Statement
H302 Harmful if swallowed; H312 Harmful in contact with skin; H315 Causes skin irritation; H319 Causes serious eye irritation; H332 Harmful if inhaled; H335 May cause respiratory irritation; H341 Suspected of causing genetic defects; H361 Suspected of damaging fertility or the unborn child.
DOT Name
Not D.O.T.-Regulated
Precautions
P261 Avoid breathing dust/fume/gas/mist/vapors/spray; P280 Wear protective gloves/protective clothing/eye protection/face protection; P301+P312 IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell; P302+P352 IF ON SKIN: wash with plenty of soap and water; P304+P340 IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing; P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing; P308+P313 IF exposed or concerned: Get medical advice/attention; P332+P313 IF SKIN irritation occurs: Get medical advice/attention.

Chemical Information

Vanillin

Vanillin is a member of the class of benzaldehydes carrying methoxy and hydroxy substituents at positions 3 and 4 respectively. It has a role as an antioxidant, a flavouring agent, an anticonvulsant, an anti-inflammatory agent and a plant metabolite. It is a member of benzaldehydes, a monomethoxybenzene and a member of phenols.

CAS Number121-33-5
PubChem CID1183
IUPAC Name4-hydroxy-3-methoxybenzaldehyde
Molecular FormulaC8H8O3
Molecular Weight152.15
XLogP1.2
Topological Polar Surface Area46.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count11
Formal Charge0
Complexity135
SMILES
COC1=C(C=CC(=C1)C=O)O
InChI
InChI=1S/C8H8O3/c1-11-8-4-6(5-9)2-3-7(8)10/h2-5,10H,1H3
InChIKey
MWOOGOJBHIARFG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Vanillin
CAS: 121-33-5
CID: 1183
Formula: C8H8O3
MW: 152.15
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight152.15
XLogP31.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass152.047344113
Monoisotopic Mass152.047344113
Topological Polar Surface Area46.5 Ų
Heavy Atom Count11
Formal Charge0
Complexity135
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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