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Allyl formate

CAT: 0286-A14500-01Size: 25 gDry Ice: NoHazardous: Yes
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CAT#:0286-A14500-01Size:25 g
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CAS Number
1838-59-1
UN Code
UN2336
Pictogram
02 - Flammable; 05 - Corrosive; 06 - Acute Toxicity; 07 - Irritant
UDF Signal Word
Warning
MDL Number
MFCD00046144
Hazard Statement
H224 Extremely flammable liquid and vapor; H301 Toxic if swallowed; H312 Harmful in contact with skin; H314 Causes severe skin burns and eye damage; H319 Causes serious eye irritation; H330 Fatal if inhaled; H335 May cause respiratory irritation.
DOT Name
Allyl Formate
DOT Classification
Class 3, 6.1
Packaging Group
PGI
Precautions
P210 Keep away from heat/sparks/open flames/hot surfaces. — No smoking; P240 Ground/bond container and receiving equipment; P260 Do not breathe dust/fume/gas/mist/vapors/spray; P264 Wash skin thoroughly after handling; P271 Use only outdoors or in a well-ventilated area; P280 Wear protective gloves/protective clothing/eye protection/face protection; P284 Wear respiratory protection; P301+P310 IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician; 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.

Chemical Information

Allyl Formate

Allyl formate appears as a colorless liquid. Soluble in water. Highly toxic by ingestion, inhalation and skin contact.

CAS Number1838-59-1
PubChem CID61278
IUPAC Nameprop-2-enyl formate
Molecular FormulaC4H6O2
Molecular Weight86.09
XLogP0.8
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count6
Formal Charge0
Complexity49
SMILES
C=CCOC=O
InChI
InChI=1S/C4H6O2/c1-2-3-6-4-5/h2,4H,1,3H2
InChIKey
ZHHZHHSFKCANOC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Allyl Formate
CAS: 1838-59-1
CID: 61278
Formula: C4H6O2
MW: 86.09
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight86.09
XLogP30.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass86.036779430
Monoisotopic Mass86.036779430
Topological Polar Surface Area26.3 Ų
Heavy Atom Count6
Formal Charge0
Complexity49.5
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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