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Dimethyl benzyl carbinyl butyrate

CAS 10094-34-5C14H20O2MW 220.15 g/mol

Dimethyl benzyl carbinyl butyrate (CAS 10094-34-5) — formula C14H20O2, molecular weight 220.15 g/mol.

Product Overview

CAS Number10094-34-5
Molecular FormulaC14H20O2
Molecular Weight220.15 g/mol
Boiling Point253.00 to 255.00 °C. @ 760.00 mm Hg
LogP3.5

Technical Profile

What this product is

Dimethyl benzyl carbinyl butyrate is a chemical compound with CAS registry number 10094-34-5 and molecular formula C14H20O2 (molecular weight 220.15 g/mol).

Identification

CAS number: 10094-34-5

Its molecular formula C14H20O2 comprises 14 C, 20 H, 2 O atoms.

Also known as: Dimethyl benzyl carbinyl butyrate · Benzyldimethylcarbinyl butyrate

Frequently Asked Questions

What is the CAS number of Dimethyl benzyl carbinyl butyrate?

The CAS registry number of Dimethyl benzyl carbinyl butyrate is 10094-34-5.

What is the molecular formula and molecular weight of Dimethyl benzyl carbinyl butyrate?

Molecular formula C14H20O2, molecular weight 220.15 g/mol.

What other names is Dimethyl benzyl carbinyl butyrate known by?

It is also registered under: Dimethyl benzyl carbinyl butyrate, Benzyldimethylcarbinyl butyrate.

PubChem Public Data

Independent reference data for Dimethyl benzyl carbinyl butyrate (CAS 10094-34-5), compiled from public chemistry databases.

Registry identifiers across databases

CAS Registry Number10094-34-5
PubChem CID24915
Molecular formulaC14H20O2
Molecular weight220.15 g/mol
IUPAC name(2-methyl-1-phenylpropan-2-yl) butanoate
InChIKeySHSGYHAHMQLYRB-UHFFFAOYSA-N
UNII (FDA)3Q0C60547R
ChEBI IDCHEBI:185847
FEMA number2394
JECFA number1656

Computed descriptors

Molecular Weight220.31
XLogP33.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count6
Exact Mass220.146329876
Monoisotopic Mass220.146329876
Topological Polar Surface Area26.3
Heavy Atom Count16

Physicochemical values on record

Boiling Point253.00 to 255.00 °C. @ 760.00 mm Hg
Boiling Point237-255 °C
Density0.960-0.971
Refractive Index1.484-1.489

Documented uses on record

    Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional ClassesFlavoring Agents -> JECFA Flavorings Index

    Synonyms and trade names

    1,1-Dimethyl-2-phenylethyl butyrate; RefChem:588253; 10094-34-5; Butanoic acid, 1,1-dimethyl-2-phenylethyl ester; Dimethylbenzylcarbinyl butyrate; Benzyldimethylcarbinyl butyrate; alpha,alpha-Dimethylphenethyl butyrate; Dimethyl benzyl carbinyl butyrate; Dmbc butyrate; 2-Benzyl-2-propyl butyrate; Benzyl dimethylcarbinyl butyrate; 1,1-Dimethyl-2-phenylethyl butanoate; Benzyl dimethylcarbinyl n-butyrate; FEMA No. 2394; Benzyl dimethyl carbinyl butyrate; (2-methyl-1-phenylpropan-2-yl) butanoate

    Regulatory listings held on file

    Regulatory & Food ContactFDA Substance added to food: FLAVORING AGENT OR ADJUVANT
    FLAVOURING_AGENT: Flavouring Agent
    Flavoring Agents
    Floral
    No safety concern at current levels of intake when used as a flavouring agent
    TRS 947-JECFA68/
    GHS notification summary1.8% (37 / 2051)

    GHS hazard classification

    GHS notification summary1.8% (37 / 2051)
    Reported hazard statementsH411 (87.4%)

    This chemical does not meet GHS hazard criteria for 1.8% (37 of 2051) of reports.

    H411 (87.4%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

    What the public record says

    Dimethyl benzyl carbinyl butyrate is identified by CAS 10094-34-5, molecular formula C14H20O2 and molecular weight 220.15 g/mol. UNII 3Q0C60547R; ChEBI 185847; InChIKey SHSGYHAHMQLYRB-UHFFFAOYSA-N. Boiling Point: 253.00 to 255.00 °C. @ 760.00 mm Hg; Boiling Point: 237-255 °C; Density: 0.960-0.971.

    Physical description and handling notes

    Source: PubChem / Wikidata; the batch COA governs where values differ.

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