✉ info@591daili.com☎ +86-18553102138
📞 WhatsApp中文
Home › Product Catalog › METHYL CAPRYLATE

METHYL CAPRYLATE

CAS 111-11-5C9H18O2MW 158.13 g/mol

METHYL CAPRYLATE (CAS 111-11-5) — formula C9H18O2, molecular weight 158.13 g/mol; category organic chemicals.

Product Overview

CAS Number111-11-5
Molecular FormulaC9H18O2
Molecular Weight158.13 g/mol
Melting Point-40 °C
Boiling Point192.9 °C @ 760 mm Hg
LogP3.6
CategoryOrganic Chemicals

Technical Profile

What this product is

METHYL CAPRYLATE is a carbon-based organic compound with CAS registry number 111-11-5 and molecular formula C9H18O2 (molecular weight 158.13 g/mol), belonging to the organic chemicals segment of chemical raw materials.

Identification

CAS number: 111-11-5

Its molecular formula C9H18O2 comprises 9 C, 18 H, 2 O atoms.

Also known as: METHYL CAPRYLATE · METHYL OCTANOATE

Category: organic chemicals

Frequently Asked Questions

What is the CAS number of METHYL CAPRYLATE?

The CAS registry number of METHYL CAPRYLATE is 111-11-5.

What is the molecular formula and molecular weight of METHYL CAPRYLATE?

Molecular formula C9H18O2, molecular weight 158.13 g/mol.

What other names is METHYL CAPRYLATE known by?

It is also registered under: METHYL CAPRYLATE, METHYL OCTANOATE.

Which category does METHYL CAPRYLATE belong to?

Category: Organic Chemicals.

PubChem Public Data

Independent reference data for METHYL CAPRYLATE (CAS 111-11-5), compiled from public chemistry databases.

Registry identifiers across databases

CAS Registry Number111-11-5
PubChem CID8091
Molecular formulaC9H18O2
Molecular weight158.13 g/mol
IUPAC namemethyl octanoate
InChIKeyJGHZJRVDZXSNKQ-UHFFFAOYSA-N
UNII (FDA)7MO740X6QL
ChEBI IDCHEBI:87432
FEMA number2728
JECFA number173

Computed descriptors

Molecular Weight158.24
XLogP33.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count7
Exact Mass158.130679813
Monoisotopic Mass158.130679813
Topological Polar Surface Area26.3
Heavy Atom Count11

Physicochemical values on record

Boiling Point192.9 °C @ 760 mm Hg
Boiling Point194.00 to 195.00 °C. @ 760.00 mm Hg
Boiling Point194-195 °C
Melting Point-40 °C
SolubilityIn water, 64.4 mg/l @ 20 °C
Solubility0.0644 mg/mL at 20 °C
Density0.8775 @ 20 °C/4 °C
Density0.875-0.890
Refractive Index1.413-1.422
Formulations/PreparationsGrades: technical; 99.8%

Documented uses on record

    Used as a flavoring ingredient and as an intermediate for caprylic acid detergents, emulsifiers, wetting agents, stabilizers, plasticizers, resins, lubricants, alkanolamides, fatty alcohols, and acids; [HSDB]Intermediate for caprylic acid detergents, emulsifiers, wetting agents, stabilizers, plasticizers, resins, lubricants; flavoring

    Synonyms and trade names

    Methyl octanoate; 111-11-5; Methyl caprylate; Caprylic acid methyl ester; Methyl n-octanoate; Octanoic acid methyl ester; OCTANOIC ACID, METHYL ESTER; Uniphat A20; Methyl octylate; FEMA No. 2728; DTXSID2026864; formyl octanoate; 7MO740X6QL; DTXCID606864; CHEBI:87432; NSC-3710

    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
    Fruit, Orange, Wax, Wine
    No safety concern at current levels of intake when used as a flavouring agent
    GHS notification summary11.3% (206 / 1827)

    GHS hazard classification

    GHS notification summary11.3% (206 / 1827)
    Reported hazard statementsH317 (88%), H227

    This chemical does not meet GHS hazard criteria for 11.3% (206 of 1827) of reports.

    H317 (88%): May cause an allergic skin reaction [Warning Sensitization, Skin]

    What the public record says

    METHYL CAPRYLATE is identified by CAS 111-11-5, molecular formula C9H18O2 and molecular weight 158.13 g/mol. UNII 7MO740X6QL; ChEBI 87432; InChIKey JGHZJRVDZXSNKQ-UHFFFAOYSA-N. Boiling Point: 192.9 °C @ 760 mm Hg; Boiling Point: 194.00 to 195.00 °C. @ 760.00 mm Hg; Boiling Point: 194-195 °C.

    Physical description and handling notes

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

Request a Quote

✉ info@591daili.com☎ +86-18553102138📞 WhatsAppEmail InquiryWhatsApp Inquiry

Supplier: Jinan Shenghe Chemical Co., Ltd.

中文页面: METHYL CAPRYLATE

鲁ICP备19031700号-2