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Propyl gallate

CAT: 0286-P27450-02Size: 100 gDry Ice: NoHazardous: No
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CAT#:0286-P27450-02Size:100 g
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CAS Number
121-79-9
Synonyms
3,4,5-Trihydroxybenzoic acid propyl ester; n-Propyl gallate; Gallic acid n-propyl ester
Pictogram
07 - Irritant; 08 - Health Hazard
UDF Signal Word
Danger
MDL Number
MFCD00002196
Hazard Statement
H302 Harmful if swallowed; H312 Harmful in contact with skin; H317 May cause an allergic skin reaction; H319 Causes serious eye irritation; H332 Harmful if inhaled; H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled; H335 May cause respiratory irritation.
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; P285 In case of inadequate ventilation wear respiratory 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; P332+P313 IF SKIN irritation occurs: Get medical advice/attention; P342+P311 IF experiencing respiratory symptoms: call a POISON CENTER or doctor/physician.

Chemical Information

Propyl Gallate

N-propyl gallate is a trihydroxybenzoic acid.

CAS Number121-79-9
PubChem CID4947
IUPAC Namepropyl 3,4,5-trihydroxybenzoate
Molecular FormulaC10H12O5
Molecular Weight212.20
XLogP1.8
Topological Polar Surface Area87
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count15
Formal Charge0
Complexity206
SMILES
CCCOC(=O)C1=CC(=C(C(=C1)O)O)O
InChI
InChI=1S/C10H12O5/c1-2-3-15-10(14)6-4-7(11)9(13)8(12)5-6/h4-5,11-13H,2-3H2,1H3
InChIKey
ZTHYODDOHIVTJV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Propyl Gallate
CAS: 121-79-9
CID: 4947
Formula: C10H12O5
MW: 212.20
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight212.20
XLogP31.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass212.06847348
Monoisotopic Mass212.06847348
Topological Polar Surface Area87 Ų
Heavy Atom Count15
Formal Charge0
Complexity206
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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CatalogName
AB3358Propyl gallate

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