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Merck
CN

W500615

Diacetin

Synonym(s):

Glycerol diacetate

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About This Item

Linear Formula:
(CH3COOCH2)2CHOH
CAS Number:
Molecular Weight:
176.17
NACRES:
NA.21
PubChem Substance ID:
UNSPSC Code:
12164502
EC Number:
246-941-2
Beilstein/REAXYS Number:
1706903
Organoleptic:
alcohol
Biological source:
synthetic
Food allergen:
no known allergens
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biological source

synthetic

Quality Level

vapor density

6.1 (vs air)

vapor pressure

<1 mmHg ( 20 °C)

refractive index

n20/D 1.440 (lit.)

density

1.17 g/mL at 25 °C (lit.)

application(s)

flavors and fragrances

documentation

see Safety & Documentation for available documents

food allergen

no known allergens

organoleptic

alcohol

SMILES string

CC(=O)OCC(O)COC(C)=O.CC(=O)OCC(CO)OC(C)=O

InChI

1S/2C7H12O5/c1-5(8)11-3-7(10)4-12-6(2)9;1-5(9)11-4-7(3-8)12-6(2)10/h7,10H,3-4H2,1-2H3;7-8H,3-4H2,1-2H3

InChI key

TWSUHSVPDUPKDH-UHFFFAOYSA-N

General description

Diacetin is a volatile acetylated glycerol used as a flavoring agent in e-cigarettes. It is also found in floral oil secreting plants, where it is reported to act as a signal for oil-collecting bees to locate these plants, thus playing a key role in pollination.

Application


  • Organ-specific volatiles from Sonoran desert Krameria flowers as potential signals for oil-collecting bees.: This study identifies specific volatile compounds, including Diacetin, emitted by Krameria flowers. These volatiles act as signals for oil-collecting bees, suggesting a specialized ecological interaction (Balbuena et al., 2024, Phytochemistry).

  • Techno-Economic Assessment and Sensitivity Analysis of Glycerol Valorization to Biofuel Additives via Esterification.: This paper examines the economic viability of producing biofuel additives, including Diacetin, through the esterification of glycerol, highlighting the process′s potential for cost-effective biofuel production (Pandit et al., 2023, Industrial & Engineering Chemistry Research).

Disclaimer

For R&D or non-EU Food use. Not for retail sale.


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Storage Class

10 - Combustible liquids

wgk

WGK 1

flash_point_f

230.0 °F - closed cup

flash_point_c

110 °C - closed cup

ppe

Eyeshields, Gloves, multi-purpose combination respirator cartridge (US)



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Diacetin, a reliable cue and private communication channel in a specialized pollination system.
Schaffler I, et al.
Scientific Reports, 5, 12779-12779 (2105)
Comparison between electronic cigarette refill liquid and nicotine on metabolic parameters in rats.
Golli NE, et al.
Life Sciences, 146, 131-138 (2016)
Miguel Castañeda-Zárate et al.
Current biology : CB, 31(1), 238-246 (2020-11-07)
During the evolutionary history of flowering plants, transitions between pollinator groups (pollinator shifts) have been frequent,1 and contributed to the spectacular radiation of angiosperms.2 Although the evolution of floral traits during pollinator shifts has been studied in real time under



Global Trade Item Number

SKUGTIN
W500615-SAMPLE04061838194206
W500615-25KG04061838258236
W500615-10KG04061838183521
W500615-1KG04061838258229