Amyl acetate Structure

Amyl acetate

Chemical Properties

Melting point −100 °C(lit.)
Boiling point 142-149 °C(lit.)
Density  0.876 g/mL at 25 °C(lit.)
vapor density  4.5 (vs air)
vapor pressure  4 mm Hg ( 20 °C)
refractive index  n20/D 1.402(lit.)
FLAVIS Number 09.021 | Pentyl acetate
Flash point 75 °F
storage temp.  Store below +30°C.
solubility  10g/l
form  Powder
color  White
Odor Pleasant banana-like; mild; characteristic banana- or pear-like odor.
explosive limit 1.1-7.5%(V)
Odor Type fruity
biological source synthetic
Water Solubility  10 g/L (20 ºC)
FreezingPoint  -70.8℃
Thermal Conductivity 0.134 W/(m·K) at 25 ℃
Specific Heat Capacity Cp(liquid): 2 J/(g·K), at 25℃
BRN  1744753
Henry's Law Constant 10.73 at 37 °C (static headspace-GC, Bylaite et al., 2004)
Exposure limits ACGIH:TLV-TWA 50 ppm (266 mg/m3); TLV-STEL 100 ppm (532 mg/m3)
OSHA:PEL-TWA 100 ppm (525 mg/m3)
NIOSH:REL-TWA 100 ppm
Dielectric constant 5.0(20℃)
Cosmetics Ingredients Functions FRAGRANCE
SOLVENT
Cosmetic Ingredient Review (CIR) Amyl acetate (628-63-7)
InChI 1S/C7H14O2/c1-3-4-5-6-9-7(2)8/h3-6H2,1-2H3
InChIKey PGMYKACGEOXYJE-UHFFFAOYSA-N
SMILES CCCCCOC(C)=O
LogP 2.300
Surface tension 25.8mN/m at 298.15K
Indirect Additives used in Food Contact Substances AMYL ACETATE
CAS DataBase Reference 628-63-7(CAS DataBase Reference)
FDA 21 CFR 175.105
EWG's Food Scores 1
FDA UNII 92Q24NH7AS
NIST Chemistry Reference Acetic acid, pentyl ester(628-63-7)
EPA Substance Registry System n-Amyl acetate (628-63-7)
UNSPSC Code 85151701
NACRES NB.21

Safety

Symbol(GHS) Flame (GHS02)Exclamation Mark (GHS07)Health Hazard (GHS08)
Signal wordDanger
Hazard statements H315+H320-H372-H335-H336-H402-H226
Precautionary statements P501-P273-P270-P240-P260-P210-P233-P243-P241-P242-P271-P264-P280-P370+P378-P314-P337+P313-P305+P351+P338-P362+P364-P303+P361+P353-P332+P313-P304+P340+P312-P403+P233-P403+P235-P405
Hazard Codes  Xi
Risk Statements  10-66
Safety Statements  23-25-24/25
OEB A
OEL TWA: 100 ppm (525 mg/m3)
RIDADR  UN 1104
WGK Germany  3
RTECS  AJ1925000
21
Autoignition Temperature 680 °F &_& 714 °F
TSCA  TSCA listed
HazardClass  3
PackingGroup  III
HS Code  29153930
Storage Class 3 - Flammable liquids
Hazard Classifications Flam. Liq. 3
Hazardous Substances Data 628-63-7(Hazardous Substances Data)
Toxicity Acute oral LD50 for rats 6,500 mg/kg (quoted, RTECS, 1985).
IDLA 1,000 ppm
NFPA 704:
3
1 0

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