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Merck

W500615

Diacetin

Synonym(s):

Glycerol diacetate

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About This Item

Linear Formula:
(CH3COOCH2)2CHOH
CAS Number:
25395-31-7
Molecular Weight:
176.17
NACRES:
NA.21
PubChem Substance ID:
24901997
UNSPSC Code:
12164502
EC Number:
246-941-2
Beilstein/REAXYS Number:
1706903
Organoleptic:
alcohol
Biological source:
synthetic
Food allergen:
no known allergens

Key Documents

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InChI key

TWSUHSVPDUPKDH-UHFFFAOYSA-N

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

SMILES string

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

biological source

synthetic

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

Quality Level

300

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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.

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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Certificates of Analysis (COA)

Lot/Batch Number
SHBS3700
SHBR5632
SHBP6037
STBJ5264
STBH2376

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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
Irmgard Schäffler et al.
Scientific reports, 5, 12779-12779 (2015-08-08)
The interaction between floral oil secreting plants and oil-collecting bees is one of the most specialized of all pollination mutualisms. Yet, the specific stimuli used by the bees to locate their host flowers have remained elusive. This study identifies diacetin

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