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citronellic acid

CAS 502-47-6C10H18O2MW 170.25

citronellic acid (CAS 502-47-6) — formula C10H18O2, molecular weight 170.25; category organic chemicals.

Product Description

citronellic acid (CAS 502-47-6) is a organic chemicals. Its molecular formula C10H18O2 comprises 10 C, 18 H, 2 O atoms. Its molecular weight is about 170.25. Reported physicochemical data: melting point around 257 °C, boiling point around 121.00 to 122.00 °C. @ 1.00 mm Hg, LogP about 3. Organic chemicals are the largest family of carbon-based compounds, widely used across pharmaceuticals, agrochemicals, materials, cosmetics and food industries. Downstream uses span pharmaceutical ingredients, agrochemicals, dyes, solvents, surfactants, food additives and polymer materials. As a sourcing and distribution partner we help locate and compare this item across domestic and cross-border channels, arranging samples and batch orders with full COA and compliance files.

Product Overview

CAS Number502-47-6
Molecular FormulaC10H18O2
Molecular Weight170.25
Melting Point257 °C
Boiling Point121.00 to 122.00 °C. @ 1.00 mm Hg
LogP3
Packaging25/50kg woven bags, 20/25/50kg fibre drums, 200kg plastic drums, 1000kg IBC (subject to order confirmation)
Applicationsagrochemicals, dyes, solvents, food additives and polymer materials. As a sourcing and distribution partner we can help locate and compare this item across domestic and cross-border channels, with COA and compliance files provided before ordering
CategoryOrganic Chemicals

Applications

Documented applications: agrochemicals, dyes, solvents, food additives and polymer materials. As a sourcing and distribution partner we can help locate and compare this item across domestic and cross-border channels, with COA and compliance files provided before ordering.

Packaging & Storage

Packaging25/50kg woven bags, 20/25/50kg fibre drums, 200kg plastic drums, 1000kg IBC (subject to order confirmation)

Technical Profile

What this product is

citronellic acid is a carbon-based organic compound with CAS registry number 502-47-6 and molecular formula C10H18O2 (molecular weight 170.25), belonging to the organic chemicals segment of chemical raw materials.

Identification

CAS number: 502-47-6

Its molecular formula C10H18O2 comprises 10 C, 18 H, 2 O atoms.

Also known as: citronellic acid · 3,7-二甲基-6-辛酸 · 3,7-Dimethyl-6-octenoic acid

Category: organic chemicals

Frequently Asked Questions

What is the CAS number of citronellic acid?

The CAS registry number of citronellic acid is 502-47-6.

What is the molecular formula and molecular weight of citronellic acid?

Molecular formula C10H18O2, molecular weight 170.25.

What other names is citronellic acid known by?

It is also registered under: citronellic acid, 3,7-二甲基-6-辛酸, 3,7-Dimethyl-6-octenoic acid.

What are the documented applications of citronellic acid?

Recorded applications: agrochemicals, dyes, solvents, food additives and polymer materials. As a sourcing and distribution partner we can help locate and compare this item across domestic and cross-border channels, with COA and compliance files provided before ordering.

Which category does citronellic acid belong to?

Category: Organic Chemicals.

Packaging & documentation

Packaging is agreed per order, from lab-scale packs to bulk, and confirmed with each order rather than fixed on the page. A Certificate of Analysis (COA) ships with every batch and MSDS is available; where the end use carries a regulatory limit (food contact, pharmaceutical or cosmetic), state the standard at enquiry and the grade is set against it.

PubChem Public Data

Independent reference data for citronellic acid (CAS 502-47-6), compiled from public chemistry databases.

Registry identifiers across databases

CAS Registry Number502-47-6
PubChem CID10402
Molecular formulaC10H18O2
Molecular weight170.13 g/mol
IUPAC name3,7-dimethyloct-6-enoic acid
InChIKeyGJWSUKYXUMVMGX-UHFFFAOYSA-N
UNII (FDA)1JJT408R87
ChEBI IDCHEBI:80507
FEMA number3142
JECFA number1221

Computed descriptors

Molecular Weight170.25
XLogP33
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Exact Mass170.130679813
Monoisotopic Mass170.130679813
Topological Polar Surface Area37.3
Heavy Atom Count12

Physicochemical values on record

Boiling Point121.00 to 122.00 °C. @ 1.00 mm Hg
Boiling Point121-122 °C (1 mm Hg)
Melting Point257 °C
Density0.920-0.926 (20 °C)
Refractive Index1.455-1.462

Documented uses on record

    Used as a flavoring agent; [FDA]Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

    Synonyms and trade names

    Citronellic acid; 3,7-dimethyloct-6-enoic acid; 502-47-6; 3,7-Dimethyl-6-octenoic acid; Rhodinolic acid; Rhodinic Acid; 6-OCTENOIC ACID, 3,7-DIMETHYL-; FEMA No. 3142; DTXSID1047106; 1JJT408R87; DTXCID9027106; CHEBI:80507; RefChem:577476; 207-939-7; Citronellate; 57030-77-0

    Regulatory listings held on file

    Regulatory & Food ContactEU Flavoring substances
    FDA Substance added to food: FLAVORING AGENT OR ADJUVANT
    Flavoring Agents
    FLAVOURING_AGENT: Flavouring Agent
    Floral
    No safety concern at current levels of intake when used as a flavouring agent

    GHS hazard classification

    Reported hazard statementsH311

    H311 (> 99.9%): Toxic in contact with skin [Danger Acute toxicity, dermal]

    P262, P264, P270, P280, P302+P352, P316, P321, P361+P364, P405, and P501 (click each P-code to see the statement)

    What the public record says

    3,7-Dimethyl-6-octenoic acid is identified by CAS 502-47-6, molecular formula C10H18O2 and molecular weight 170.13 g/mol. UNII 1JJT408R87; ChEBI 80507; InChIKey GJWSUKYXUMVMGX-UHFFFAOYSA-N. Boiling Point: 121.00 to 122.00 °C. @ 1.00 mm Hg; Boiling Point: 121-122 °C (1 mm Hg); Melting Point: 257 °C.

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

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中文页面: 3,7-二甲基-6-辛酸

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