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Home > Encyclopedia > Propylene glycol diacetate

Propylene glycol diacetate

Propylene glycol diacetate structure

Propylene glycol diacetate 

structure
  • CAS No:

    623-84-7

  • Formula:

    C7H12O4

  • Chemical Name:

    Propylene glycol diacetate

  • Synonyms:

    1,2-Propanediol,1,2-diacetate;1,2-Propanediol,diacetate;Propylene glycol diacetate;α-Propylene glycol diacetate;1,2-Propylene diacetate;Methylethylene acetate;Methylethylene diacetate;1,2-Diacetoxypropane;1,2-Propylene glycol diacetate;Propylene acetate;Propylene diacetate;Dowanol PGDA;(±)-1,2-Diacetoxypropane;NSC 75843;PGDA (solvent);PDGA;2-Acetyloxypropyl acetate;134236-23-0;1432741-27-9

  • Categories:

    Pharmaceutical Intermediates  >  Bulk Drug Intermediates

Description

clear colourless liquid


Liquid|COLOURLESS LIQUID.|Colourless liquid; Very mild fruity acetic aroma


Propyleneglycol diacetate is a dicarboxylic acid.

Propylene glycol diacetate Basic Attributes

160.168

160.17

210-817-6

0943

75843

DTXSID9044827

2915390090

Characteristics

52.60000

0.29

Liquid

1.059 g/cm3 @ Temp: 20 °C

-31 °C

190 °C @ Press: 762 Torr

84.3±18.2 °C

1.416

Solubility in water, g/100ml: 10 (good)

Keep away from heat, sparks, and flame. Keep away from sources of ignition. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

<1 hPa (20 °C)

Relative vapour density (air = 1): 1.0

LD50 orally in Rabbit: 13530 mg/kg

Explosive limits , vol% in air: 2.8 - 12.7

431 °C

The gas mixes well with air, explosive mixtures are easily formed.

Safety Information

NONH for all modes of transport

2

S24/25

TY4900000

Separated from strong oxidants. Ventilation along the floor.

Stable at room temperature in closed containers under normal storage and handling conditions.

P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P322, P332+P313, P337+P313, P362, P363, P403+P233, P405, P501

H312

SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.

Combustible. Above 86 °C explosive vapour/air mixtures may be formed.

Not Classified

Use foam, dry powder, carbon dioxide.

Explosive limits , vol% in air: 2.8 - 12.7

Personal protection: filter respirator for organic gases and vapours adapted to the airborne concentration of the substance. Remove all ignition sources. Ventilation. Collect leaking liquid in covered containers. Absorb remaining liquid in sand or inert absorbent. Then store and dispose of according to local regulations.

Separated from strong oxidants. Ventilation along the floor.

No indication can be given about the rate at which a harmful concentration of this substance in the air is reached on evaporation at 20 °C.

If this liquid is swallowed, aspiration into the lungs may result in chemical pneumonitis.

NO open flames. Above 86 °C use a closed system and ventilation.

Use ventilation.

Protective gloves.

Wear safety spectacles.

No data.

INDOOR: Air samples taken from randomly selected new and recently renovated buildings in the non-industrial environment of Switzerland were found to contain an average 1,2-propylene glycol diacetate concn of 2691 ug/cu-m(1).

Toxicity

1,2-Propylene glycol diacetate's use as a research chemical may result in its release to the environment through various waste streams. (SRC)

TERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 10(SRC), determined from a structure estimation method(2), indicates that 1,2-propylene glycol diacetate is expected to have very high mobility in soil(SRC). Volatilization of 1,2-propylene glycol diacetate from moist soil surfaces may be important(SRC) given an estimated Henry's Law constant of 1.4X10-7 atm-cu m/mole(SRC), using a fragment constant estimation method(3). 1,2-Propylene glycol diacetate is not expected to volatilize from dry soil surfaces based on an estimated vapor pressure of 0.58 mm Hg(SRC), determined from a fragment constant method(4). Biodegradation data for 1,2-propylene glycol diacetate are not available(SRC). However, ethylene glycol diacetate has been determined to biodegrade readily as measured in the Hach respirometric and OECD screening (die-away) tests using sewage inocula(5). Because 1,2-propylene glycol diacetate is similar in structure to ethylene glycol diacetate, it has the potential to readily biodegrade(SRC).|AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 10(SRC), determined from a structure estimation method(2), indicates that 1,2-propylene glycol diacetate is not expected to adsorb to suspended solids and sediment in water(SRC). 1,2-Propylene glycol diacetate may volatilize from water surfaces(3,SRC) based on an estimated Henry's Law constant of 1.4X10-7 atm-cu m/mole(SRC), developed using a fragment constant estimation method(4). Estimated volatilization half-lives for a model river and model lake are 336 days and 2446 days, respectively(3,SRC). A base-catalyzed second-order hydrolysis rate constant of 3.5X10-1 L/mol-sec(SRC) was estimated using a structure estimation method(7); this corresponds to half-lives of 227 days and 23 days at pH values of 7 and 8, respectively(7,SRC). According to a classification scheme(5), an estimated BCF of 3.2(3,SRC), from an estimated log Kow of 0.82(6,SRC), suggests the potential for bioconcentration in aquatic organisms is low(SRC). Biodegradation data for 1,2-propylene glycol diacetate are not available(SRC). However, ethylene glycol diacetate has been determined to biodegrade readily as measured in the Hach respirometric and OECD screening (die-away) tests using sewage inocula(8). Because 1,2-propylene glycol diacetate is similar in structure to ethylene glycol diacetate, it has the potential to readily biodegrade(SRC).|ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), 1,2-propylene glycol diacetate, which has an estimated vapor pressure of 0.58 mm Hg at 25 °C(2,SRC), is expected to exist solely as a vapor in the ambient atmosphere. Vapor-phase 1,2-propylene glycol diacetate is degraded in the atmosphere by reaction with photochemically-produced hydroxyl radicals(SRC); the half-life for this reaction in air is estimated to be 2.7 days(3,SRC).

The rate constant for the vapor-phase reaction of 1,2-propylene glycol diacetate with photochemically-produced hydroxyl radicals has been estimated as 5.9X10-12 cu cm/molecule-sec at 25 °C(SRC) using a structure estimation method(1,SRC). This corresponds to an atmospheric half-life of about 2.7 days at an atmospheric concn of 5X10+5 hydroxyl radicals per cu cm(1,SRC). A base-catalyzed second-order hydrolysis rate constant of 3.5X10-1 L/mol-sec(SRC) was estimated using a structure estimation method(2); this corresponds to half-lives of 227 days and 23 days at pH values of 7 and 8, respectively(2,SRC).

An estimated BCF of 3.2 was calculated for 1,2-propylene glycol diacetate(SRC), using an estimated log Kow of 0.82(1,SRC) and a regression-derived equation(2). According to a classification scheme(3), this BCF suggests the potential for bioconcentration in aquatic organisms is low(SRC).

Using a structure estimation method based on molecular connectivity indices(1), the Koc for 1,2-propylene glycol diacetate can be estimated to be about 10(SRC). According to a classification scheme(2), this estimated Koc value suggests that 1,2-propylene glycol diacetate is expected to have very high mobility in soil(SRC).

The Henry's Law constant for 1,2-propylene glycol diacetate is estimated as 1.4X10-7 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This Henry's Law constant indicates that 1,2-propylene glycol diacetate may volatilize from water surfaces(2,SRC). Based on this Henry's Law constant, the estimated volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec) is estimated as approximately 336 days(2,SRC). The estimated volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec) is estimated as approximately 2446 days(2,SRC). 1,2-Propylene glycol diacetate's Henry's Law constant(1,SRC) indicates that volatilization from moist soil surfaces may occur(SRC). 1,2-Propylene glycol diacetate is not expected to volatilize from dry soil surfaces based on an estimated vapor pressure of 0.58 mm Hg(SRC), determined from a fragment constant method(3).

Drug Information

Fresh air, rest.


Remove contaminated clothes. Rinse skin with plenty of water or shower.


Rinse with plenty of water (remove contact lenses if easily possible).

The substance can be absorbed into the body by ingestion.

Propylene glycol diacetate Use and Manufacturing

Methods of Manufacturing

REACTION OF PROPYLENE GLYCOL WITH GLACIAL ACETIC ACID (MONO & DIESTERS ARE SEPARATED BY DISTILLATION)

Uses

Finishing agents


mold release foundry

Production

100,000 - 500,000 lb|(1979) NO EVIDENCE OF COMMERCIAL PRODN IN U.S.|(1981) NO EVIDENCE OF COMMERCIAL PRODN IN U.S.

Miscellaneous manufacturing|1,2-Propanediol, 1,2-diacetate: ACTIVE

Flavouring Agent -> FLAVOURING_AGENT; -> JECFA Functional Classes|Flavoring Agents -> JECFA Flavorings Index

Flavouring Agent -> FLAVOURING_AGENT;|Flavoring Agents

Computed Properties

Molecular Weight:160.17
XLogP3:0.7
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:160.07355886
Monoisotopic Mass:160.07355886
Topological Polar Surface Area:52.6
Heavy Atom Count:11
Complexity:153
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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