ChemForward Alternatives

Propanedioic acid, 1,3-diethyl ester

CASRN#

105-53-3

INCI Name

DIETHYL MALONATE

Alternate Names

Ethyl Malonate; Diethyl Propanedioate; Malonic Ester; Propanedioic acid, diethyl ester; Dicarbethoxymethane; Carbethoxyacetic ester

Common Trade Names

Molecular Weight

1.6E+2 g/mol

Functional Uses

fragrance, flavor, organic synthesis reagent

Common Impurities

Is this a VOC?

Yes

Is this an exempt VOC?

Vapor Pressure

0.27 mm Hg

Octanol-water partition coefficient (log Kow)

0.96

Solubility at 37 C

2.32E+3 mg/l

Boiling Point

N/A

Particle size range as aerodynamic diameter

- - - μm

Hazard Summary

C2C Chemical Rating

grey/c

GHS Health

H319

GHS Enviro

None

Assessed by

U.S. EPA Low Priority Chemical report.

Assessment Date

Jul 10, 2020

Assessment Expires

Jul 10, 2025

Verification Status

verified

Executive Summary

Diethyl malonate is a diester derivative of malonic acid, a dicarboxylic acid with two carboxyl groups (-COO-) separated by one methylene group (-CH2-). Diethyl malonate is formed by the replacement of the hydroxyl groups (-OH) of malonic acid with ethoxy groups (-OCH2CH3). The hydrogen atoms on the methylene carbon between the two carboxyl groups make this compound acidic. Because of its unique structure, diethyl malonate is reactive and functions as a reagent for organic synthesis and to make products such as barbiturates, pigments, and agrochemicals. Volatile esters are known to have fruity scents and are often used as fragrances and flavorings. Diethyl malonate is a volatile diester that occurs naturally in fruits such as grapes, strawberries, guava, melon, pineapple, and blackberries. Section 5 includes conditions of use for this chemical. NOTE: The data provided in this assessment came primarily from the US EPA final designation report, Supporting Information for Low-Priority Substance Propanedioic Acid, 1,3-Diethyl Ester (Diethyl Malonate) (https://www.regulations.gov/document?D=EPA-HQ-OPPT-2019-0119-0009). According to US EPA, “low-priority substance designations give the public notice of chemical substances for which the hazard and/or exposure potential is anticipated to be low or nonexistent and provides some insight into which chemical substances are likely not to need additional evaluation and risk management under TSCA.”

Hazard Tables

How to read the GHS Hazard Summary Table

	Carcinogenicity	Mutagenicity	Reproductive Toxicity	Developmental Toxicity	Acute Toxicity	STOT-Single	STOT-Repeated	STOT- Neurotoxicity-Single	STOT- Neurotoxicity-Repeated	Skin Sensitizer	Respiratory Sensitizer	Skin Corrosion/Irritation	Serious Eye Damage/Eye Irritation	Acute Aquatic Toxicity	Chronic Aquatic Toxicity	Ozone Depletion
Oral Dermal Inhalation	NC Rationale Available data is insufficient for GHS classification: diethyl malonate’s transformation profile, predictions by QSAR modeling, absence of structural alerts in the parent chemical substance, and experimental genotoxicity results provide sufficient information to indicate this chemical is unlikely to be carcinogenic. NC Rationale Available data is insufficient for GHS classification: diethyl malonate’s transformation profile, predictions by QSAR modeling, absence of structural alerts in the parent chemical substance, and experimental genotoxicity results provide sufficient information to indicate this chemical is unlikely to be carcinogenic. NC Rationale Available data is insufficient for GHS classification: diethyl malonate’s transformation profile, predictions by QSAR modeling, absence of structural alerts in the parent chemical substance, and experimental genotoxicity results provide sufficient information to indicate this chemical is unlikely to be carcinogenic.	NC Rationale Multiple studies provide sufficient information to indicate low concern for genotoxicity. Lower confidence due to use of analogs.	NC Rationale Lower confidence due to analogs. No reproductive effects were observed in an OECD 422 study which provides sufficient evidence to indicate low concern for reproductive toxicity. CNP Rationale Data not available. CNP Rationale Data not available.	NC Rationale Lower confidence due to analogs. No developmental effects were observed in an OECD 422 study which provides sufficient evidence to indicate low concern for developmental toxicity. CNP Rationale Data not available. NC Rationale Lower confidence due to analogs. No developmental effects were observed in a developmental toxicity study which provides sufficient evidence to indicate low concern for developmental toxicity.	NC Rationale Multiple studies provide sufficient evidence to indicate a low concern for acute oral toxicity. Lower confidence due to analogs. NC Rationale This study provides sufficient evidence to indicate a low concern for acute dermal toxicity. Lower confidence due to analogs. CNP Rationale Data not available.	CNP Rationale Data not available. CNP Rationale Data not available. CNP Rationale Data not available.	NC Rationale An OECD Guideline 422 study provide sufficient evidence to indicate a low concern for repeat dose oral toxicity. CNP Rationale Data not available. CNP Rationale While dose-to-dose extrapolation was performed to screen the potential for inhalation repeated dose toxicity, the dose levels are not high enough to confirm the GHS classification.	NC Rationale Based on the absence of effects in the functional observation battery tests, negative results for bioactivity in ToxCast assays, mechanistic study results, and low-concern results for other endpoints, provides sufficient information to indicate low concern for neurotoxicity. NC Rationale Based on the absence of effects in the functional observation battery tests, negative results for bioactivity in ToxCast assays, mechanistic study results, and low-concern results for other endpoints, provides sufficient information to indicate low concern for neurotoxicity. NC Rationale Based on the absence of effects in the functional observation battery tests, negative results for bioactivity in ToxCast assays, mechanistic study results, and low-concern results for other endpoints, provides sufficient information to indicate low concern for neurotoxicity.	NC Rationale Based on the absence of effects in the functional observation battery tests, negative results for bioactivity in ToxCast assays, mechanistic study results, and low-concern results for other endpoints, provides sufficient information to indicate low concern for neurotoxicity. NC Rationale Based on the absence of effects in the functional observation battery tests, negative results for bioactivity in ToxCast assays, mechanistic study results, and low-concern results for other endpoints, provides sufficient information to indicate low concern for neurotoxicity. NC Rationale Based on the absence of effects in the functional observation battery tests, negative results for bioactivity in ToxCast assays, mechanistic study results, and low-concern results for other endpoints, provides sufficient information to indicate low concern for neurotoxicity.	NC Rationale This study provides sufficient information to indicate low concern for skin sensitization. Lower confidence due to analogs.	NC Rationale No structural alerts identified provides sufficient information to indicate low concern for respiratory sensitization. Lower confidence because a lack of structural alerts is insufficient for establishing a GHS classification.	NC Rationale An OECD guideline 404 study provides sufficient evidence to indicate low concern for skin irritation.	Cat 2A Rationale An OECD Guideline 405 study provides sufficient information to indicate moderate/high concern for eye irritation.	NC Rationale Aquatic toxicity studies and a weight of evidence approach provide sufficient evidence to indicate a low concern for acute aquatic toxicity.	NC Rationale Modelling and a weight of evidence approach provide sufficient evidence to indicate a low concern for chronic aquatic toxicity.	NC Rationale Chemical is not on Montreal Protocol or IPCC List.

Other

Explosives: Not classified
Flammable Gases: Not classified
Aerosols: Not classified
Oxidizing Gases: Not classified
Flammable Liquids: Not classified
Flammable Solids: Not classified
Self-reactive substances and mixtures: Not classified
Pyrophoric Liquids: Not classified
Pyrophoric Solids: Not classified
Self-heating Substances and Mixtures: Not classified
Substances and Mixtures which in contact with water, emit flammable gases: Not classified
Oxidizing Liquids: Not classified
Oxidizing Solids: Not classified
Organic Peroxides: Not classified
Corrosive to Metals: Not classified
Desensitized Explosives: Not classified
Lactation Toxicity: Classification not possible (Data gap or insufficient data)
Aspiration: Classification not possible (Data gap or insufficient data)

How to read the C2CC Hazard Summary Table

Human Health											Environmental							Other
	Carcinogenicity	Mutagenicity	Reproductive & Developmental Toxicity	Endocrine Activity / Disruption	Oral Toxicity	Dermal Toxicity	Inhalation Toxicity	Neurotoxicity	Skin, Eye, and Respiratory Corrosion/Irritation	Sensitization of Skin and Airways	Fish Toxicity	Daphnia Toxicity	Algae Toxicity	Terrestrial Toxicity	Persistence	Bioaccumulation	Climatic Relevance	Other (Human Health)	Organohalogens	Toxic Metals	Other (Environmental Health)
Oral Dermal Inhalation	- - -	G	G - G	- Rationale Data not available.	G	G	-	G G G	Y	G	G	G	G	-	G Rationale Multiple biodegradation studies provide sufficient information to indicate low concern for persistence.	G Rationale Based on the estimated bioaccumulation factor (BAF) value of 1.06, using the Estimation Programs Interface (EPI) Suite models, EPA has sufficient information that diethyl malonate is expected to have low potential for bioaccumulation in the environment based on the low-concern benchmark of less than 1000.	Y	G Rationale No additional relevant data for classification.	G	G	G Rationale No additional data available.

The Cradle to Cradle Material Health Assessment Methodology assigns hazard ratings to 24 individual human and environmental health endpoints. The system is largely based on GHS with the addition of endpoints including but not limited to Persistence, Bioaccumulation Potential and Endocrine Activity/Disruption. The possible C2C Chemical Ratings that can result from ChemForward’s simplified C2C chemical rating logic are:

C2C Chemical Rating	Color	Short Definition	Rules Summary
a	green	preferred in all applications	Chemical has no YELLOW or RED hazards or Cancer data gaps.
b	green	preferred in all applications	Chemical has no YELLOW hazards but lacks long-term cancer studies.
c/b	yellow/ green	acceptable in all applications	Chemical has one or more YELLOW risk flags before considering application. Applications where exposure is possible would result in a ‘c’ rating. Applications where exposure is unlikely or expected to be negligible would result in a ‘b’ rating.
grey/c	grey/ yellow	insufficient information available	Chemical has one or more GREY risk flags before considering application. Applications where exposure is possible would result in a ‘grey’ rating. Applications where exposure is unlikely or expected to be negligible would result in a ‘c’ rating.
x/c	red/ yellow	may be acceptable or problematic depending on application	Chemical has one or more RED risk flags before considering application. Applications where exposure is possible would result in a ‘x’ rating. Applications where exposure is unlikely or expected to be negligible would result in a ‘c’ rating.
N/A	red	problematic in all applications	Chemical is on a regulatory concern list, is climatically active, and/or is an organohalogen.
x-PBT	red	problematic in all applications	Chemical has a RED hazard for Persistence, Bioaccumulation, and another endpoint.
N/A	red	problematic in all applications	Chemical is a toxic metal, all of which have a RED hazard for Cancer, Mutagenicity, or Reproductive toxicity.
N/A	red	problematic in all applications	Chemical is on a regulatory concern list and has a RED hazard for Cancer, Mutagenicity, or Reproductive toxicity.
N/A	purple	banned in all applications	Chemical is on the C2C Certified banned list.

Propanedioic acid, 1,3-diethyl ester

Hazard Summary

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C2C Chemical Ratings

GHS

Verification Status

How to read the GHS Hazard Summary Table

How to read the C2CC Hazard Summary Table