Benzoic acid,4-(3-methylbutoxy)

Modify Date: 2025-08-26 15:34:12

Benzoic acid,4-(3-methylbutoxy) Structure
Benzoic acid,4-(3-methylbutoxy) structure
Common Name Benzoic acid,4-(3-methylbutoxy)
CAS Number 2910-85-2 Molecular Weight 208.25400
Density 1.082g/cm3 Boiling Point 326.8ºC at 760mmHg
Molecular Formula C12H16O3 Melting Point 142-144ºC
MSDS N/A Flash Point 121.5ºC

 Names

Name 4-(3-methylbutoxy)benzoic acid
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.082g/cm3
Boiling Point 326.8ºC at 760mmHg
Melting Point 142-144ºC
Molecular Formula C12H16O3
Molecular Weight 208.25400
Flash Point 121.5ºC
Exact Mass 208.11000
PSA 46.53000
LogP 2.80970
Vapour Pressure 8.58E-05mmHg at 25°C
Index of Refraction 1.518
InChIKey YNYYRDUFMDDJMV-UHFFFAOYSA-N
SMILES CC(C)CCOc1ccc(C(=O)O)cc1

 Safety Information

Hazard Codes Xi
HS Code 2918990090

 Synthetic Route

~%

Benzoic acid,4-(3-methylbutoxy) Structure

Benzoic acid,4-...

CAS#:2910-85-2

Literature: Lauer; Moe Journal of the American Chemical Society, 1943 , vol. 65, p. 289,292

~%

Benzoic acid,4-(3-methylbutoxy) Structure

Benzoic acid,4-...

CAS#:2910-85-2

Literature: Rohmann; Haas; Bergstermann Archiv der Pharmazie (Weinheim, Germany), 1940 , vol. 278, p. 425,434

~%

Benzoic acid,4-(3-methylbutoxy) Structure

Benzoic acid,4-...

CAS#:2910-85-2

Literature: McElvain; Carney Journal of the American Chemical Society, 1946 , vol. 68, p. 2592,2599

~%

Benzoic acid,4-(3-methylbutoxy) Structure

Benzoic acid,4-...

CAS#:2910-85-2

Literature: Cohen; Dudley Journal of the Chemical Society, 1910 , vol. 97, p. 1747

~%

Benzoic acid,4-(3-methylbutoxy) Structure

Benzoic acid,4-...

CAS#:2910-85-2

Literature: Cohen; Dudley Journal of the Chemical Society, 1910 , vol. 97, p. 1747

~%

Benzoic acid,4-(3-methylbutoxy) Structure

Benzoic acid,4-...

CAS#:2910-85-2

Literature: Cohen; Dudley Journal of the Chemical Society, 1910 , vol. 97, p. 1747

 Customs

HS Code 2918990090
Summary 2918990090. other carboxylic acids with additional oxygen function and their anhydrides, halides, peroxides and peroxyacids; their halogenated, sulphonated, nitrated or nitrosated derivatives. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

 Benzoic acid,4-(3-methylbutoxy)Bioassay

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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: 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: 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: 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: 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: Primary Screen Inhibitors of CD40 Signaling in BL2 Cells Measured in Cell-Based Syste...
Source: Broad Institute
Target: N/A
External Id: 7124-01_Inhibitor_SinglePoint_HTS_Activity
Name: Fluorescence-based cell-based primary high throughput screening assay to identify pos...
Source: The Scripps Research Institute Molecular Screening Center
Target: muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id: CHRM1_PAM_FLUO8_1536_1X%ACT PRUN
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 Synonyms

4-Isopentyloxy-benzoesaeure
4-(3-methylbutoxy)-benzoic acid
4-Isoamyloxy-benzoesaeure
4-(isopentyloxy)benzoic acid
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