Propanedioic acid,2-(phenylmethylene)

Modify Date: 2026-07-15 11:29:13

Propanedioic acid,2-(phenylmethylene) structure	Common Name	Propanedioic acid,2-(phenylmethylene)
	CAS Number	584-45-2	Molecular Weight	192.16800
	Density	1.413g/cm3	Boiling Point	384ºC at 760 mmHg
	Molecular Formula	C₁₀H₈O₄	Melting Point	N/A
	MSDS	N/A	Flash Point	200.2ºC

This table lists Chinese names, IUPAC names and various aliases of this chemical substance.

Name	2-benzylidenepropanedioic acid
Synonym	More Synonyms

This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.

Density	1.413g/cm3
Boiling Point	384ºC at 760 mmHg
Molecular Formula	C₁₀H₈O₄
Molecular Weight	192.16800
Flash Point	200.2ºC
Exact Mass	192.04200
PSA	74.60000
LogP	1.23920
Index of Refraction	1.652
InChIKey	KXTAOXNYQGASTA-UHFFFAOYSA-N
SMILES	O=C(O)C(=Cc1ccccc1)C(=O)O

This table summarizes toxicological test data, acute & chronic toxicity and ecological hazard parameters for this chemical.

CHEMICAL IDENTIFICATION

RTECS NUMBER :: OO0540000

CHEMICAL NAME :: Malonic acid, benzylidene-

CAS REGISTRY NUMBER :: 584-45-2

BEILSTEIN REFERENCE NO. :: 2048635

LAST UPDATED :: 199803

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C10-H8-O4

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD - Lethal dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: >500 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: NCNSA6 National Academy of Sciences, National Research Council, Chemical-Biological Coordination Center, Review. (Washington, DC) Volume(issue)/page/year: 5,7,1953

This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.

This table lists upstream starting materials and downstream derivative products related to this chemical.

Precursor 8
CAS#:6626-84-2 Dimethyl Benzyl... CAS#:141-82-2 Malonic acid CAS#:100-52-7 Benzaldehyde CAS#:201230-82-2 carbon monoxide
CAS#:705-54-4 2-chloro-3-phen... CAS#:581-55-5 Methanediol, 1-... CAS#:92-29-5 Methanediamine,... CAS#:105-53-3 Diethyl malonate
DownStream 10
CAS#:473-90-5 Oxomalonic acid CAS#:100-52-7 Benzaldehyde CAS#:65-85-0 benzoic acid CAS#:538-56-7 2-Propenoic aci...
CAS#:17422-56-9 Propanedioic ac... CAS#:22399-00-4 DIETHYL 2-(4-NI... CAS#:141-82-2 Malonic acid CAS#:124-38-9 Carbon dioxide
CAS#:621-82-9 Cinnamic acid CAS#:555-16-8 4-Nitrobenzaldehyde

This table contains target information, in‑vitro & in‑vivo assay data for this compound.

Name: Antinociceptive activity in CD1 mouse assessed as increase in thermal-stimulus induce...
Source: ChEMBL
Target: Mus musculus
External Id: CHEMBL3993358

Name: Antinociceptive activity in CD1 mouse assessed as increase in thermal-stimulus induce...
Source: ChEMBL
Target: Mus musculus
External Id: CHEMBL3993357

Name: Agonist activity at human TREK1 expressed in xenopus oocytes assessed as increase in ...
Source: ChEMBL
Target: Potassium channel subfamily K member 2
External Id: CHEMBL3993351

Name: Antinociceptive activity in CD1 mouse assessed as inhibition of acetic acid-induced w...
Source: ChEMBL
Target: Mus musculus
External Id: CHEMBL3993354

Name: NCI human tumor cell line growth inhibition assay. Data for the MCF7 Non-Small Cell L...
Source: DTP/NCI
Target: N/A
External Id: MCF7_OneDose

Name: Inhibition of Gloeobacter violaceus ligand-gated ion channel expressed in Xenopus lae...
Source: ChEMBL
Target: N/A
External Id: CHEMBL2389044

Name: NCI human tumor cell line growth inhibition assay. Data for the IGROV1 Non-Small Cell...
Source: DTP/NCI
Target: N/A
External Id: IGROV1_OneDose

Name: Dissociation constant, pKa of the compound
Source: ChEMBL
Target: N/A
External Id: CHEMBL2389041

Name: Antagonist activity at Gloeobacter violaceus ligand-gated ion channel expressed in Xe...
Source: ChEMBL
Target: N/A
External Id: CHEMBL2389045

Total 9, Current Page 1 of 1

This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.

Benzalmalonsaeure

2-Benzylidenemalonic acid

Benzalmalonic acid

benzylidene-malonic acid

Benzyliden-malonsaeure

EINECS 209-538-2

Malonic acid,benzylidene

This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.

Q: What are the upstream materials of 2-benzylidenepropanedioic acid?

A: Related upstream materials(CAS) of 2-benzylidenepropanedioic acid: 6626-84-2;141-82-2;100-52-7;201230-82-2;705-54-4;581-55-5;92-29-5;105-53-3.

Q: What is the polar surface area (PSA) of 2-benzylidenepropanedioic acid?

A: Polar surface area (PSA) of 2-benzylidenepropanedioic acid is 74.60000.

Q: What is the InChIKey of 2-benzylidenepropanedioic acid?

A: InChIKey of 2-benzylidenepropanedioic acid is KXTAOXNYQGASTA-UHFFFAOYSA-N.

Q: What is the molecular weight of 2-benzylidenepropanedioic acid?

A: Molecular weight of 2-benzylidenepropanedioic acid is 192.16800.

Q: What are the downstream products of 2-benzylidenepropanedioic acid?

A: Related downstream products(CAS) of 2-benzylidenepropanedioic acid: 473-90-5;100-52-7;65-85-0;538-56-7;17422-56-9;22399-00-4;141-82-2;124-38-9;621-82-9;555-16-8.

Q: What is the molecular formula of 2-benzylidenepropanedioic acid?

A: Molecular formula of 2-benzylidenepropanedioic acid is C10H8O4.

Q: What is the LogP of 2-benzylidenepropanedioic acid?

A: LogP of 2-benzylidenepropanedioic acid is 1.23920.

Q: What is the CAS number of 2-benzylidenepropanedioic acid?

A: CAS number of 2-benzylidenepropanedioic acid is 584-45-2.

Q: What is the SMILES notation of 2-benzylidenepropanedioic acid?

A: SMILES notation of 2-benzylidenepropanedioic acid is O=C(O)C(=Cc1ccccc1)C(=O)O.

Q: What is the English name of 2-benzylidenepropanedioic acid?

A: The English name of 2-benzylidenepropanedioic acid is 2-benzylidenepropanedioic acid.

This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.

Dayang Chem (Hangzhou) Co., Ltd.

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Shanghai Nianxing Industrial Co., Ltd
China
Product Name: Palmitic acid
Price: Check
Purity: 98.0%
Delivery: 10 Day
Contact: Yang
Email: sales@echemcloud.com

Dayang Chem (Hangzhou) Co., Ltd.
China
Product Name: Propanedioic acid,2-(phenylmethylene)-
Price: $Inquiry/100g $Inquiry/1kg $Inquiry/100kg $Inquiry/1000kg
Purity: 98.0%
Delivery: Inquiry
Contact: Ms Wang
Email: enquiry@dycnchem.com

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Propanedioic acid,2-(phenylmethylene)

Names

Chemical & Physical Properties

Toxicological Information

CHEMICAL IDENTIFICATION

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

Synthetic Route

Precursor & DownStream

Propanedioic acid,2-(phenylmethylene)Bioassay

Synonyms

Propanedioic acid,2-(phenylmethylene) | FAQ

Propanedioic acid,2-(phenylmethylene)factory

The content on this webpage is sourced from various professional data sources. If you have any questions or concerns regarding the content, please feel free to contact service1@chemsrc.com.