Basic information
- CAS
14250-95-4- Standard SMILES
CCCCC(CC)C(OC)OC- InChIKey
PNCLVYKEOAAKCK-UHFFFAOYSA-N- Molecular formula
- C10H22O2
- Average molar mass
- 174.28 g/mol
- Monoisotopic mass
- 174.16197994
Names & identifiers
- Preferred name
- 3-(Dimethoxymethyl)heptane
- IUPAC
- 3-(dimethoxymethyl)heptane
- English name
- 2-Ethylhexanal dimethyl acetal
- Molecular formula
- C10H22O2
- Molecular weight
- 174.28
Names & synonyms
3-(Dimethoxymethyl)heptane14250-95-4EINECS 238-126-5DTXSID70864479RefChem:92620DTXCID60812989238-126-52-ETHYLHEXANAL DIMETHYL ACETALHeptane, 3-(dimethoxymethyl)-MFCD02683068SCHEMBL79024772-ethyl hexanal dimethyl acetal
Show more names
1,1-Dimethoxy-2-ethylhexane
PNCLVYKEOAAKCK-UHFFFAOYSA-NAKOS025396868NS00053898
Database identifiers
- CAS
14250-95-4- PubChem CID
- 85702
- DTXSID
DTXSID70864479- EC Number
- 238-126-5
- Nikkaji
- J216.925H
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 89.8
Physicochemical properties
- Density
- 0.854 · 0.854
- refractive index
- 1.418 · 1.4180
- Flash point
- 57 ° · 57°(135°F)
- LogP
- 2.904 · 2.904 (est)
- Symbol(GHS)
- 2 · GHS02,GHS07
- Hazard statements
- 226 · H226-H315-H319-H335
- Precautionary statements
- 210 · P210-P261-P303+P361+P353-P305+P351+P338-P405-P501a
- Risk Statements
- 10 · 10-36/37/38
- Safety Statements
- 16 · 16-26-36/37/39
- RIDADR
- 1993 · UN1993
- HazardClass
- 3 · 3
- PackingGroup
- III
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 94 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationChemical: Heptane, 3-(dimethoxymethyl)-
Other Safety InformationIMAP assessments - Heptane, 3-(dimethoxymethyl)-: Environment tier I assessment
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
Safety data
- ridadr
- UN1993
- risk_code
- 10-36/37/38
- Symbol(GHS)
- GHS02,GHS07
- safety_code
- 16-26-36/37/39
- hazard_class
- 3
- packing_group
- III
- Hazard statements
- H226-H315-H319-H335
- Precautionary statements
- P210-P261-P303+P361+P353-P305+P351+P338-P405-P501a
Chemistry & industry
Suppliers7 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海昶衍化工科技有限公司021-20242659 18930833303 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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