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Merck

W292516

Propyl acetate

greener alternative

natural, ≥97%, FCC, FG

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About This Item

Linear Formula:
CH3COOCH2CH2CH3
CAS Number:
109-60-4
Molecular Weight:
102.13
FEMA Number:
2925
Council of Europe no.:
192c
UNSPSC Code:
12164502
PubChem Substance ID:
24901398
Flavis number:
9.002
EC Number:
203-686-1
NACRES:
NA.21
MDL number:
MFCD00009372
Beilstein/REAXYS Number:
1740764
Organoleptic:
celery; fruity; pear
Grade:
FG, Fragrance grade, Halal, Kosher, natural
Agency:
follows IFRA guidelines, meets purity specifications of JECFA
Food allergen:
no known allergens

Key Documents

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SMILES string

CCCOC(C)=O

InChI

1S/C5H10O2/c1-3-4-7-5(2)6/h3-4H2,1-2H3

InChI key

YKYONYBAUNKHLG-UHFFFAOYSA-N

grade

FG, Fragrance grade, Halal, Kosher, natural

agency

follows IFRA guidelines, meets purity specifications of JECFA

reg. compliance

EU Regulation 1223/2009, EU Regulation 1334/2008 & 178/2002, FCC, FDA 21 CFR 172.515

vapor density

3.5 (vs air)

vapor pressure

25 mmHg ( 20 °C)

assay

≥97%

form

liquid

autoignition temp.

842 °F

expl. lim.

1.7 %, 37 °F, 8 %

greener alternative product characteristics

Less Hazardous Chemical Syntheses
Use of Renewable Feedstocks
Learn more about the Principles of Green Chemistry.

sustainability

Greener Alternative Product

Quality Level

300, 400

bp

102 °C (lit.)

mp

−95 °C (lit.)

density

0.888 g/mL at 25 °C (lit.)

application(s)

flavors and fragrances

documentation

see Safety & Documentation for available documents

food allergen

no known allergens

fragrance allergen

no known allergens

greener alternative category

Aligned

organoleptic

celery; fruity; pear

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General description

We are committed to bringing you greener alternative products, which adhere to one or more of the 12 Principles of Green Chemistry. This product is Biobased and thus aligns with "Less Hazardous Chemical Syntheses" and "Use of Renewable Feedstocks".

pictograms

FlameExclamation mark
GHS02,GHS07

signalword

Danger

Hazard Classifications

Eye Irrit. 2 - Flam. Liq. 2 - STOT SE 3

target_organs

Central nervous system

supp_hazards

EUH066

Storage Class

3 - Flammable liquids

wgk

WGK 1

flash_point_f

53.2 °F - closed cup

flash_point_c

11.8 °C - closed cup

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

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Certificates of Analysis (COA)

Lot/Batch Number
SHBS9755
SHBS3674
SHBQ0991
SHBN8230
SHBN1547

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Lan-Chun Nie et al.
Zhi wu sheng li yu fen zi sheng wu xue xue bao = Journal of plant physiology and molecular biology, 31(6), 663-667 (2005-12-20)
Aroma volatiles from apple (Malus domestica Borkh. var. Starkrimson) fruit at different stages of maturity were collected by solid adsorbent-Tenax-GC and determined by thermodesorption and GC-MS. Production of propyl acetate, butyl acetate, ethyl 2-methyl-butanoate and total ester volatiles and changes
S Puglisi-Allegra et al.
Pharmacology, biochemistry, and behavior, 13(2), 287-290 (1980-08-01)
An automated technique for measuring simultaneously aggressive behavior and motor activity in mice is described. This technique allows measure of aggressive behavior and motor activity continuously throughout long-lasting periods without disturbing the animals except for feeding, watering and cleaning the
[Gas chromatographic determination of propyl acetate in air].
N N Sirotkina et al.
Gigiena i sanitariia, (7)(7), 46-47 (1981-07-01)
A L Gustavsson et al.
Bioorganic & medicinal chemistry, 5(12), 2173-2183 (1998-02-12)
The enantiomers of cis- and trans-3-(4-propyl-cyclopent-2-enyl) propyl acetate, which are conformationally constrained analogues of (Z)-5-decenyl acetate (1), a sex pheromone component of the turnip moth, Agrotis segetum, have been synthesized and tested using the electrophysiological single-sensillum technique. The analogues mimic
J Arsan et al.
Biotechnology and bioengineering, 69(2), 222-226 (2000-06-22)
Fatty acid (FA) selectivity of immobilized Rhizomucor miehei lipase was determined for various cosubstrate systems for ester modification involving competing n-acyl-donor substrates of even-chain length (C4-C16; FA or their methyl esters, FAME) and either n-propanol or propyl acetate in hexane.
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