4-benzoyloxybutyl benzoate

Modify Date: 2025-08-25 19:05:16

4-benzoyloxybutyl benzoate Structure
4-benzoyloxybutyl benzoate structure
Common Name 4-benzoyloxybutyl benzoate
CAS Number 19224-27-2 Molecular Weight 298.33300
Density 1.151g/cm3 Boiling Point 432.1ºC at 760 mmHg
Molecular Formula C18H18O4 Melting Point N/A
MSDS N/A Flash Point 215.5ºC

 Names

Name 4-benzoyloxybutyl benzoate
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.151g/cm3
Boiling Point 432.1ºC at 760 mmHg
Molecular Formula C18H18O4
Molecular Weight 298.33300
Flash Point 215.5ºC
Exact Mass 298.12100
PSA 52.60000
LogP 3.48060
Vapour Pressure 1.13E-07mmHg at 25°C
Index of Refraction 1.555
InChIKey YHOWYTOWCBNTHB-UHFFFAOYSA-N
SMILES O=C(OCCCCOC(=O)c1ccccc1)c1ccccc1

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
EK1325000
CHEMICAL NAME :
1,4-Butanediol, dibenzoate
CAS REGISTRY NUMBER :
19224-27-2
BEILSTEIN REFERENCE NO. :
1993579
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C18-H18-O4
MOLECULAR WEIGHT :
298.36
WISWESSER LINE NOTATION :
RVO4OVR

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
180 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#04646

 Synthetic Route

 4-benzoyloxybutyl benzoateBioassay

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Name: Primary cell-based high-throughput screening assay for identification of compounds th...
Source: Johns Hopkins Ion Channel Center
Target: regulator of G-protein signaling 4 isoform 2 [Homo sapiens]
External Id: JHICC_RGS_Act_HTS
Name: Luminescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: mu-type opioid receptor isoform MOR-1 [Homo sapiens]
External Id: OPRM1-OPRD1_AG_LUMI_1536_1X%ACT PRUN
Name: QFRET-based biochemical primary high throughput screening assay to identify exosite i...
Source: The Scripps Research Institute Molecular Screening Center
Target: disintegrin and metalloproteinase domain-containing protein 17 preproprotein [Homo sapiens]
External Id: ADAM17_INH_QFRET_1536_1X%INH PRUN
Name: Luminescence Cell-Free Homogeneous Counter Screen to Identify Inhibitors of ADP-glo R...
Source: Broad Institute
Target: N/A
External Id: 2046-03_INHIBITORS_DOSE-TITRATION_MLPCN-CHERRYPICK
Name: Fluorescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id: CHRM1_AG_FLUO8_1536_1X%ACT PRUN
Name: uHTS identification of small molecule activators of the adaptive arm of the Unfolded ...
Source: Burnham Center for Chemical Genomics
Target: N/A
External Id: BCCG-A405-UPR-XBP1-PrimaryAgonist-Assay
Name: High throughput fluorescence intensity-based biochemical assay to screen for small mo...
Source: University of Pittsburgh Molecular Library Screening Center
Target: furin (paired basic amino acid cleaving enzyme), isoform CRA_a [Homo sapiens]
External Id: MH080376 Biochemical HTS for Inhibitors of the Proprotein Convertase Furin.
Name: Luminescence Cell-Free Homogeneous Dose Retest to Identify Inhibitors of Glycogen Syn...
Source: Broad Institute
Target: glycogen synthase kinase 3 beta isoform 1 [Homo sapiens]
External Id: 2046-02_INHIBITORS_DOSE-TITRATION_MLPCN-CHERRYPICK
Name: Fluorescence polarization to screen for inhibitor that competite the binding of FadD2...
Source: Broad Institute
Target: FATTY-ACID-CoA LIGASE FADD28 (FATTY-ACID-CoA SYNTHETASE)
External Id: 2147-01_Inhibitor_SinglePoint_HTS_Activity
Name: Bursicon-induced LGR2 mediated cAMP production in LGR-2/CRE6x-Luciferase co-transfect...
Source: Broad Institute
Target: N/A
External Id: Bursicon-induced LGR2 mediated cAMP production in LGR-2/CRE6x-Luciferase co-transfected HEK293 cells Inhibition - 7011-01_Antagonist_SinglePoint_HTS_Activity
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 Synonyms

tetramethylene glycol dibenzoate
1,4-butanediyl dibenzoate
butane-1,4-diyl dibenzoate
1,4-Butylene glycol dibenzoate
4-(Benzoyloxy)butyl benzoate
1,4-bis(benzoyloxy)butane
1,4-Bis-benzoyloxy-butan
1,4-BUTANEDIOL,DIBENZOATE
Benzoic acid,butylene ester
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