- IUPAC name
- 1,1-dimethoxyheptane
- Molecular formula
- C9H20O2
- Molecular weight
- 160.25 g/mol
- Exact mass
- 160.146329876 Da
- XLogP3
- 3.0
- Topological polar surface area
- 18.5 Ų
- Hydrogen-bond donors
- 0
- Hydrogen-bond acceptors
- 2
- Covalent units
- 1
- Defined stereocentres
- 0
Also known as
Heptanal dimethyl acetalHeptane, 1,1-dimethoxy-FEMA No. 2541RMC47KWZ4JRefChem:783643233-103-6Enanthal dimethyl acetalOenanthal dimethyl acetal
15 more reported names
Heptanal, dimethyl acetalHeptaldehyde dimethyl acetalAldehyde C-7 dimethyl acetal1,1-dimethoxy-heptanen-Heptanal dimethyl acetalEINECS 233-103-6UNII-RMC47KWZ4JAI3-360201,1-Dimethoxyheptane, 98%FEMA 2541CHEBI:178229HEPTANAL DIMETHYL ACETAL [FHFI]AS-79916DB-326443CS-0439587
External database identifiers
- ChEBI:CHEBI:178229
- EPA DTXSID:DTXSID0064919
Evidence from additional scientific databases
EMBL-EBI ChEBI
Exact identifier matchCHEBI:178229
1,1-Dimethoxyheptane
- Formula
- C9H20O2
- Average mass
- 160.257 g/mol
- Monoisotopic mass
- 160.14633 Da
- Formal charge
- 0
- acetal — is a (CHEBI:59769)
- acetal — is a (CHEBI:59769)
Additional curated names
1,1-dimethoxyheptane
Cross-references from this source
- CAS: 10032-05-0 — ChemIDplus
- MANUAL_X_REF: 55376 — ChemSpider
- MANUAL_X_REF: HMDB0040432 — HMDB
Mapped by: Exact CAS cross-reference in the ChEBI compound record. Retrieved: 2026-08-31. Open source record
NIH PubChem PUG-View
Exact identifier match61453
Attributed physical-property, hazard, environmental and use annotations.
- Boiling Point: 81.00 °C. @ 30.00 mm Hg Source: Human Metabolome Database (HMDB)
- Boiling Point: 164-165 °C; 60 °C (1 mm Hg) Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Density: 0.844-0.849 Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Physical Description: colourless oily liquid with a green, herbaceous, somewhat nutty odour Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Refractive Index: 1.405-1.415 Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Solubility: insoluble in water; soluble in organic solvents, oils Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Solubility: miscible at room temperature (in ethanol) Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Note: This chemical does not meet GHS hazard criteria for 0.7% (1 of 153) of reports. Source: European Chemicals Agency (ECHA)
- Signal: Warning Source: European Chemicals Agency (ECHA)
- GHS Hazard Statements: H226 (99.3%): Flammable liquid and vapor [Warning Flammable liquids]; H302 (25.5%): Harmful if swallowed [Warning Acute toxicity, oral]; H319 (73.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] Source: European Chemicals Agency (ECHA)
- Precautionary Statement Codes: P210, P233, P240, P241, P242, P243, P264, P264+P265, P270, P280, P301+P317, P303+P361+P353, P305+P351+P338, P330, P337+P317, P370+P378, P403+P235, and P501 (click each P-code to see the statement) Source: European Chemicals Agency (ECHA)
- ECHA C&L Notifications Summary: Aggregated GHS information provided per 153 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.; Reported as not meeting GHS hazard criteria per 1 of 153 reports by companies.; There are 2 notifications provided by 152 of 153 reports by companies with hazard statement code(s).; Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. Source: European Chemicals Agency (ECHA)
Mapped by: Existing checksum-valid CAS to unique PubChem CID match. Retrieved: 2026-08-31. Open source record
Scientific classifications and hazard annotations provide context and do not replace the market-specific regulatory decision shown above.
Additional source coverage and match status
| Source | Result | Checked |
|---|---|---|
| EMBL-EBI ChEBI | Exact match | 2026-08-31 |
| NIH PubChem PUG-View | Exact match | 2026-08-31 |
A recorded no-match is useful evidence that the source was checked; it is not a claim that the substance does not exist elsewhere.
Retrieved from NIH PubChem on 2026-08-31 by checksum-valid CAS matching. Chemical properties do not replace the regulatory decision on this page.