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Ambroxan

CAS 6790-58-5C16H28OMW 236.39

Ambroxan (CAS 6790-58-5) — formula C16H28O, molecular weight 236.39.

Product Overview

CAS Number6790-58-5
Molecular FormulaC16H28O
Molecular Weight236.39
Melting Point75 - 76 °C
Boiling Point120.00 to 121.00 °C. @ 1.40 mm Hg
LogP4.7

Technical Profile

What this product is

Ambroxan is a chemical compound with CAS registry number 6790-58-5 and molecular formula C16H28O (molecular weight 236.39).

Identification

CAS number: 6790-58-5

Its molecular formula C16H28O comprises 16 C, 28 H, 1 O atoms.

Also known as: Ambroxan · 降龙涎香醚 · 1,5,5,9-Tetramethyl-13-oxatricyclo[8.3.0.0(4,9)]tridecane

Frequently Asked Questions

What is the CAS number of Ambroxan?

The CAS registry number of Ambroxan is 6790-58-5.

What is the molecular formula and molecular weight of Ambroxan?

Molecular formula C16H28O, molecular weight 236.39.

What other names is Ambroxan known by?

It is also registered under: Ambroxan, 降龙涎香醚, 1,5,5,9-Tetramethyl-13-oxatricyclo[8.3.0.0(4,9)]tridecane.

PubChem Public Data

Independent reference data for Ambroxan (CAS 6790-58-5), compiled from public chemistry databases.

Registry identifiers across databases

CAS Registry Number6790-58-5
PubChem CID10857465
Molecular formulaC16H28O
Molecular weight236.21 g/mol
IUPAC name(3aR,5aS,9aS,9bR)-3a,6,6,9a-tetramethyl-2,4,5,5a,7,8,9,9b-octahydro-1H-benzo[e][1]benzofuran
InChIKeyYPZUZOLGGMJZJO-LQKXBSAESA-N
UNII (FDA)TD34B3O8M9
ChEBI IDCHEBI:78307

Computed descriptors

Molecular Weight236.39
XLogP34.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass236.214015512
Monoisotopic Mass236.214015512
Topological Polar Surface Area9.2
Heavy Atom Count17

Documented uses on record

    Information on 29 consumer products that contain Ambroxide in the following categories is provided:Soap, Cleaning Compound, and Toilet Preparation Manufacturing

    Synonyms and trade names

    (-)-Ambroxide; 6790-58-5; Ambroxide; Ambroxan; (-)-ambrox; DTXSID0047113; K60YJF1E9A; Ambroxide, (-)-; (3aR,5aS,9aS,9bR)-3a,6,6,9a-tetramethyldodecahydronaphtho[2,1-b]furan; TD34B3O8M9; AMBERMOX; AMBROFIX; ORCANOX; CHEBI:78307; AMBROXIDE [MI]; (3aR,5aS,9aS,9bR)-3a,6,6,9a-tetramethyl-2,4,5,5a,7,8,9,9b-octahydro-1H-benzo[e][1]benzofuran

    Regulatory listings held on file

    Regulatory & Food ContactFDA Substance added to food: FLAVOR ENHANCER, FLAVORING AGENT OR ADJUVANT
    1,5,5,9-TETRAMETHYL-13-OXATRICYCLO(8.3.0.0(4,9))TRIDECANE
    GHS notification summary99.9% (1600 / 1601)

    GHS hazard classification

    GHS notification summary99.9% (1600 / 1601)

    This chemical does not meet GHS hazard criteria for > 99.9% (1600 of 1601) of all reports.

    Reported as not meeting GHS hazard criteria by 1600 of 1601 companies (only < 0.1% companies provided GHS information). For more detailed information, please visit ECHA C&L website.

    What the public record says

    1,5,5,9-Tetramethyl-13-oxatricyclo[8.3.0.0(4,9)]tridecane is identified by CAS 6790-58-5, molecular formula C16H28O and molecular weight 236.21 g/mol. UNII TD34B3O8M9; ChEBI 78307; InChIKey YPZUZOLGGMJZJO-LQKXBSAESA-N.

    Physical description and handling notes

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

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