HEPTYL ACETATE (CAS 112-06-1) — formula C9H18O2, molecular weight 158.13 g/mol; category organic chemicals.
HEPTYL ACETATE (CAS 112-06-1) is a organic chemicals. Its molecular formula C9H18O2 comprises 9 C, 18 H, 2 O atoms. Its molecular weight is about 158.13 g/mol. Reported physicochemical data: melting point around -58.4 °F (USCG, 1999), boiling point around 378.5 °F at 760 mmHg (USCG, 1999), LogP about 2.9. 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.
| CAS Number | 112-06-1 |
|---|---|
| Molecular Formula | C9H18O2 |
| Molecular Weight | 158.13 g/mol |
| Melting Point | -58.4 °F (USCG, 1999) |
| Boiling Point | 378.5 °F at 760 mmHg (USCG, 1999) |
| LogP | 2.9 |
| Packaging | 25/50kg woven bags, 20/25/50kg fibre drums, 200kg plastic drums, 1000kg IBC (subject to order confirmation) |
| 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 |
| Category | Organic Chemicals|Flavors |
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.
HEPTYL ACETATE is a carbon-based organic compound with CAS registry number 112-06-1 and molecular formula C9H18O2 (molecular weight 158.13 g/mol), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 112-06-1
Its molecular formula C9H18O2 comprises 9 C, 18 H, 2 O atoms.
Also known as: HEPTYL ACETATE · 醋酸庚酯
Category: organic chemicals / food flavors
The CAS registry number of HEPTYL ACETATE is 112-06-1.
Molecular formula C9H18O2, molecular weight 158.13 g/mol.
It is also registered under: HEPTYL ACETATE, 醋酸庚酯.
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.
Category: Organic Chemicals / Flavors.
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.
Independent reference data for HEPTYL ACETATE (CAS 112-06-1), compiled from public chemistry databases.
| CAS Registry Number | 112-06-1 |
|---|---|
| PubChem CID | 8159 |
| Molecular formula | C9H18O2 |
| Molecular weight | 158.13 g/mol |
| IUPAC name | heptyl acetate |
| InChIKey | ZCZSIDMEHXZRLG-UHFFFAOYSA-N |
| UNII (FDA) | 6551B78I5U |
| ChEBI ID | CHEBI:165651 |
| FEMA number | 2547 |
| JECFA number | 129 |
| Molecular Weight | 158.24 |
|---|---|
| XLogP3 | 2.9 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 7 |
| Exact Mass | 158.130679813 |
| Monoisotopic Mass | 158.130679813 |
| Topological Polar Surface Area | 26.3 |
| Heavy Atom Count | 11 |
| Boiling Point | 378.5 °F at 760 mmHg (USCG, 1999) |
|---|---|
| Boiling Point | 192.00 to 193.00 °C. @ 760.00 mm Hg |
| Boiling Point | 192 °C |
| Melting Point | -58.4 °F (USCG, 1999) |
| Melting Point | -50 °C |
| Flash Point | 154 °F (USCG, 1999) |
| Density | 0.87505(15 °C) |
| Refractive Index | 1.411-1.417 |
Heptyl acetate; Heptanyl acetate; Acetic acid, heptyl ester; 1-Heptyl acetate; N-HEPTYL ACETATE; Acetate C-7; n-Heptyl ethanoate; Heptyl ethanoate; Acetic acid n-heptyl ester; HEPTYLACETATE; n-Heptyl acetate (natural); Heptanol acetate; FEMA No. 2547; EINECS 203-932-8; DTXSID9047124; NSC 3833
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Floral, Fresh No safety concern at current levels of intake when used as a flavouring agent |
|---|---|
| GHS notification summary | 99.4% (317 / 319) |
| GHS notification summary | 99.4% (317 / 319) |
|---|
This chemical does not meet GHS hazard criteria for 99.4% (317 of 319) of all reports.
Reported as not meeting GHS hazard criteria by 317 of 319 companies (only 0.6% companies provided GHS information). For more detailed information, please visit ECHA C&L website.
HEPTYL ACETATE is identified by CAS 112-06-1, molecular formula C9H18O2 and molecular weight 158.13 g/mol. UNII 6551B78I5U; ChEBI 165651; InChIKey ZCZSIDMEHXZRLG-UHFFFAOYSA-N. Boiling Point: 378.5 °F at 760 mmHg (USCG, 1999); Boiling Point: 192.00 to 193.00 °C. @ 760.00 mm Hg; Boiling Point: 192 °C.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 醋酸庚酯