Benzylmalonic Acid

Modify Date: 2025-09-11 17:48:02

Benzylmalonic Acid Structure
Benzylmalonic Acid structure
Common Name Benzylmalonic Acid
CAS Number 616-75-1 Molecular Weight 194.18400
Density 1.34 g/cm3 Boiling Point 378.4ºC at 760 mmHg
Molecular Formula C10H10O4 Melting Point 117-120 °C(lit.)
MSDS Chinese USA Flash Point 196.8ºC
Symbol GHS07
GHS07
Signal Word Warning

 Names

Name Benzylmalonic Acid
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.34 g/cm3
Boiling Point 378.4ºC at 760 mmHg
Melting Point 117-120 °C(lit.)
Molecular Formula C10H10O4
Molecular Weight 194.18400
Flash Point 196.8ºC
Exact Mass 194.05800
PSA 74.60000
LogP 1.01450
InChIKey JAEJSNFTJMYIEF-UHFFFAOYSA-N
SMILES O=C(O)C(Cc1ccccc1)C(=O)O
Storage condition Refrigerator

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
OO0525000
CHEMICAL NAME :
Malonic acid, benzyl-
CAS REGISTRY NUMBER :
616-75-1
BEILSTEIN REFERENCE NO. :
0643530
LAST UPDATED :
199709
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C10-H10-O4
MOLECULAR WEIGHT :
194.20
WISWESSER LINE NOTATION :
QVYVQ1R

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
200 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: AD277-689

 Safety Information

Symbol GHS07
GHS07
Signal Word Warning
Hazard Statements H315-H319-H335
Precautionary Statements P261-P305 + P351 + P338
Personal Protective Equipment dust mask type N95 (US);Eyeshields;Gloves
Hazard Codes Xi:Irritant;
Risk Phrases R36/37/38
Safety Phrases S26-S36
RIDADR NONH for all modes of transport
WGK Germany 3
RTECS OO0525000
HS Code 2917399090

 Synthetic Route

 Customs

HS Code 2917399090
Summary 2917399090 aromatic polycarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:6.5%。General tariff:30.0%

 Benzylmalonic AcidBioassay

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Name: Inhibition of recombinant His6-tagged CtBP2 (31 to 384 residues) (unknown origin) deh...
Source: ChEMBL
Target: C-terminal-binding protein 2
External Id: CHEMBL3804623
Name: Discovery of Small Molecules to Inhibit Human Cytomegalovirus Nuclear Egress
Source: ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
Target: HCMV UL50
External Id: HMS1262
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: 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: A screen for compounds that inhibit the activity of LtaS in Staphylococcus aureus
Source: ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
External Id: HMS979
Name: A screen for compounds that inhibit viral RNA polymerase binding and polymerization a...
Source: ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
Target: Chain A, Poliovirus Polymerase With Gtp
External Id: HMS750
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1

 Synonyms

MFCD00004261
2-benzylpropanedioic acid
EINECS 210-491-5
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