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NERYL PROPIONATE

CAS 105-91-9C13H22O2MW 210.16 g/mol

NERYL PROPIONATE (CAS 105-91-9) — formula C13H22O2, molecular weight 210.16 g/mol; category organic chemicals.

Product Overview

CAS Number105-91-9
Molecular FormulaC13H22O2
Molecular Weight210.16 g/mol
Boiling Point233.00 °C. @ 760.00 mm Hg
LogP3.9
ApplicationsFragrance Ingredients
CategoryOrganic Chemicals

Applications

Documented applications: Fragrance Ingredients.

Technical Profile

What this product is

NERYL PROPIONATE is a carbon-based organic compound with CAS registry number 105-91-9 and molecular formula C13H22O2 (molecular weight 210.16 g/mol), belonging to the organic chemicals segment of chemical raw materials.

Identification

CAS number: 105-91-9

Its molecular formula C13H22O2 comprises 13 C, 22 H, 2 O atoms.

Also known as: NERYL PROPIONATE · 丙酸橙花酯

Category: organic chemicals

Frequently Asked Questions

What is the CAS number of NERYL PROPIONATE?

The CAS registry number of NERYL PROPIONATE is 105-91-9.

What is the molecular formula and molecular weight of NERYL PROPIONATE?

Molecular formula C13H22O2, molecular weight 210.16 g/mol.

What other names is NERYL PROPIONATE known by?

It is also registered under: NERYL PROPIONATE, 丙酸橙花酯.

What are the documented applications of NERYL PROPIONATE?

Recorded applications: Fragrance Ingredients.

Which category does NERYL PROPIONATE belong to?

Category: Organic Chemicals.

PubChem Public Data

Independent reference data for NERYL PROPIONATE (CAS 105-91-9), compiled from public chemistry databases.

Registry identifiers across databases

CAS Registry Number105-91-9
PubChem CID5365982
Molecular formulaC13H22O2
Molecular weight210.16 g/mol
IUPAC name[(2Z)-3,7-dimethylocta-2,6-dienyl] propanoate
InChIKeyBYCHQEILESTMQU-XFXZXTDPSA-N
UNII (FDA)FAS39QE02Z
ChEBI IDCHEBI:174072
FEMA number2777
JECFA number63

Computed descriptors

Molecular Weight210.31
XLogP33.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count7
Exact Mass210.161979940
Monoisotopic Mass210.161979940
Topological Polar Surface Area26.3
Heavy Atom Count15

Physicochemical values on record

Boiling Point233.00 °C. @ 760.00 mm Hg
Boiling Point233 °C
Density0.89-0.91 (d20/4)
Refractive Index1.45-1.47

Documented uses on record

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

    Synonyms and trade names

    Neryl propionate; Neryl propanoate; 105-91-9; Propionic acid, neryl ester; FEMA No. 2777; Neryl propionate (natural); [(2Z)-3,7-dimethylocta-2,6-dienyl] propanoate; cis-3,7-Dimethyl-2,6-octadien-1-ol, propionate; UNII-FAS39QE02Z; 2,6-OCTADIEN-1-OL, 3,7-DIMETHYL-, PROPIONATE, (Z)-; EINECS 203-345-7; FAS39QE02Z; Propionic acid, 3,7-dimethyl-2,6-octadien-1-yl ester; 2,6-Octadien-1-ol, 3,7-dimethyl-, propanoate, (Z)-; (2Z)-3,7-dimethylocta-2,6-dien-1-yl propanoate; 3,7-Dimethyl-2,6-octadienyl propanoate, (Z)-

    Regulatory listings held on file

    Regulatory & Food ContactEU Flavoring substances
    FDA Substance added to food: FLAVOR ENHANCER, FLAVORING AGENT OR ADJUVANT
    Flavoring Agents
    FLAVOURING_AGENT: Flavouring Agent
    Fruit
    No safety concern at current levels of intake when used as a flavouring agent
    GHS notification summary100% (90 / 90)

    GHS hazard classification

    GHS notification summary100% (90 / 90)

    This chemical does not meet GHS hazard criteria for 100% (90 of 90) of all reports.

    Reported as not meeting GHS hazard criteria by 90 of 90 companies. For more detailed information, please visit ECHA C&L website.

    What the public record says

    NERYL PROPIONATE is identified by CAS 105-91-9, molecular formula C13H22O2 and molecular weight 210.16 g/mol. UNII FAS39QE02Z; ChEBI 174072; InChIKey BYCHQEILESTMQU-XFXZXTDPSA-N. Boiling Point: 233.00 °C. @ 760.00 mm Hg; Boiling Point: 233 °C; Density: 0.89-0.91 (d20/4).

    Physical description and handling notes

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

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