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allyl amyl glycolate

Chemical Structure

General Material Information

Preferred name allyl amyl glycolate
Trivial Name Allyl 2-(isopentyloxy)acetate
Short Description allyl (3-methylbutoxy)acetate
Formula C10 H18 O3
CAS Number 67634-00-8
ECHA Number 266-803-5
FDA UNII EMX89K493E
Nikkaji Number J333.238A
MDL MFCD00216757
xLogP3-AA 2.30 (est)
Bio Activity Summary External link
NMR Predictor External link
Synonyms
  • acetic acid, (3-methylbutoxy)-, 2-propenyl ester
  • acetic acid, 2-(3-methylbutoxy)-, 2-propen-1-yl ester
  • allyl (3-methyl butoxy) acetate
  • allyl (3-methylbutoxy)acetate
  • allyl amyl glycollate
  • allyl amylglycolate
  • allyl isoamyl glycolate
  • allyl isoamyl oxyacetate
  • allyl isoamyloxy acetate
  • allyl pentyloxyacetate
  • iso amyl allyl glycolate
  • iso amyl oxyacetic acid allyl ester
  • iso amyloxyacetic acid, allyl ester
  • galbanum glycolate
  • glycolic acid 2-pentoxyallyl ester
  • prop-2-en-1-yl (3-methylbutoxy)acetate
  • prop-2-enyl 2-(3-methylbutoxy)acetate
  • 2-propen-1-yl (3-methyl butoxy) acetate
  • 2-propenyl (3-methyl butoxy) acetate
  • 2-propenyl 2-((3-methyl butyl)oxy) ethanoate
  • Allyl 2-(isopentyloxy)acetate

US / EU / FDA / JECFA / FEMA / Scholar / Patents

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Literature & References

prop-2-enyl 2-(3-methylbutoxy)acetate
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:67634-00-8
Pubchem (cid):106729
Pubchem (sid):135064589
Pherobase:View
Publications by PubMed
The effects of vehicles on the human dermal irritation potentials of allyl esters

Other Information

(IUPAC):Atomic Weights of the Elements 2011 (pdf)
Videos:The Periodic Table of Videos
tgsc:Atomic Weights use for this web site
(IUPAC):Periodic Table of the Elements
CHEMBL:View
HMDB (The Human Metabolome Database):Search
Export Tariff Code:2918.90.3500
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 186.25105285645
Specific gravity @ 25 °C
Pounds per Gallon 7.78 to 7.847
Specific gravity @ 20 °C
Pounds per Gallon 7.798 to 7.864
Refractive Index 1.428 to 1.433 @ 20 °C
Boiling Point 201 to 203°C @ 760 mm Hg
Vapor Pressure 0.04 mmHg @ 25 °C
Vapor Density 1
Flash Point TCC Value 93.33 °C TCC
logP (o/w) 2.72
Shelf life 24 months (or longer if stored properly.)
Storage notes Store in cool, dry place in tightly sealed containers, protected from heat and light.
Solubility
alcohol Yes
water, 510.7 mg/L @ 25 °C (est) Yes
water No
Stability
antiperspirant Unspecified
deo stick Unspecified
detergent perborate Unspecified
fabric softener Unspecified
hard surface cleaner Unspecified
shampoo Unspecified
soap Unspecified

Organoleptic Properties

Odor Type: Fruity
fruity, green, galbanum, pineapple, fusel
Odor strength medium , recommend smelling in a 10.00 % solution or less
Substantivity 84 hour(s) at 100.00 %
Luebke, William tgsc, (2000) At 10.00 % in dipropylene glycol. fruity green galbanum pineapple fusel
Recommended Uses: Fine fragrance, personal care, fabric care, home care. Strong, fruity, galbanum with a pineapple modification. Adds a modern sparkle to any fragrance
General comment Fruity galbanum pineapple pineapple green galbanum herbal apple
Popular in masculine fragrances. Description from IFF: “Odor: Strong, fruity, galbanum with a pineapple modification. Adds a modern sparkle to any fragrance. Use: Recommended Uses: Fine fragrance, personal care, fabric care, home care.” Fruity, pineapple note with aspects of apple and galbanum

Safety Information

Safety information

European information :
Most important hazard(s):
Xn - Harmful.
R 22 - Harmful if swallowed.
R 26/27/28 - Very toxic by inhalation, in contact with skin and if swallowed.
S 02 - Keep out of the reach of children.
S 24/25 - Avoid contact with skin and eyes.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 36/37/39 - Wear suitable clothing, gloves and eye/face protection.
S 46 - If swallowed, seek medical advice immediately and show this container or label.
Hazards identification
Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
Skin irritation (Category 2), H315
Eye irritation (Category 2A), H319
Specific target organ toxicity - single exposure (Category 3), Respiratory system, H335
GHS Label elements, including precautionary statements
Pictogramexclamation-mark.jpg
Signal word Warning
Hazard statement(s)
H315 - Causes skin irritation
H319 - Causes serious eye irritation
H335 - May cause respiratory irritation
Precautionary statement(s)
P261 - Avoid breathing dust/fume/gas/mist/vapours/spray.
P264 - Wash skin thouroughly after handling.
P271 - Use only outdoors or in a well-ventilated area.
P280 - Wear protective gloves/protective clothing/eye protection/face protection.
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.
P312 - Call a POISON CENTER or doctor/physician if you feel unwell.
P332 + P313 - IF SKIN irritation occurs: Get medical advice/attention.
P337 + P313 - IF eye irritation persists: Get medical advice/attention.
P362 - Take off contaminated clothing and wash before reuse.
P403 + P233 - Store in a well-ventilated place. Keep container tightly closed.
P405 - Store locked up.
P501 - Dispose of contents/ container to an approved waste disposal plant.
Oral/Parenteral Toxicity:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined

Safety in use information

Category:
fragrance agents
RIFM Fragrance Material Safety Assessment: Search
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
IFRA Purity Specification:
Recommendation for allyl amyl glycolate usage levels up to:
1.0000 % in the fragrance concentrate.
Recommendation for allyl amyl glycolate flavor usage levels up to:
not for flavor use.

Safety references

EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):67634-00-8
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :106729
National Institute of Allergy and Infectious Diseases:Data
SCCNFP:opinion
WGK Germany:2
prop-2-enyl 2-(3-methylbutoxy)acetate
Chemidplus:0067634008
EPA/NOAA CAMEO:hazardous materials