Basic information
- CAS
22174-70-5- Standard SMILES
CCCCC(CC)COCOCC(CC)CCCC- InChIKey
QPIWJVQXEMCELO-UHFFFAOYSA-N- Molecular formula
- C17H36O2
- Average molar mass
- 272.5 g/mol
- Monoisotopic mass
- 272.27153039
Names & identifiers
- Preferred name
- 3,3'-(Methylenebis(oxymethylene))bisheptane
- IUPAC
- 3-(2-ethylhexoxymethoxymethyl)heptane
- English name
- 3,3'-[methylenebis(oxymethylene)]bisheptane
- Molecular formula
- C17H36O2
- Molecular weight
- 272.47
Names & synonyms
3,3'-[METHYLENEBIS(OXYMETHYLENE)]BISHEPTANEEINECS 244-815-13,3'-(Methylenebis(oxymethylene))bisheptaneEC 244-815-1RefChem:484926244-815-122174-70-53-(2-ethylhexoxymethoxymethyl)heptaneHeptane,3,3'-[methylenebis(oxymethylene)]bis- (9CI)2-Ethylhexylal4-Hydroxybenzo[c]phenanthreneSCHEMBL3952281
Show more names
Heptane, 3,3'-[methylenebis(oxymethylene)]bis-
SCHEMBL27581227DTXSID00897134QPIWJVQXEMCELO-UHFFFAOYSA-N2-Ethylhexylal, 99%, for synthesisNS000013583-({[(2-Ethylhexyl)oxy]methoxy}methyl)heptane
Database identifiers
- CAS
22174-70-5- PubChem CID
- 89612
- DTXSID
DTXSID00897134- EC Number
- 244-815-1
- Nikkaji
- J285.449J
Properties
Computed structural properties
- XLogP
- 6.3
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 14
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 153
Physicochemical properties
- Boiling point
- 290 ℃[at · 290℃[at 101 325 Pa]
- Density
- 0.848 · 0.848[at 20℃]
- vapor pressure
- 0.139 Pa · 0.139Pa at 20℃
- Water Solubility
- 10.4 μg/L · 10.4μg/L at 20℃
- Cosmetics Ingredients Functions
- SOLVENT
- LogP
- 6.53 · 6.53
- Hazard statements
- 413 · H413
- REACH Registrations
- Active
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
H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
P273, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Regulatory InformationREACH registered substance: 3,3'-[methylenebis(oxymethylene)]bisheptane (EC: 244-815-1)
Hazard Classes and CategoriesAquatic Chronic 4 (100%)
Safety data
- Hazard statements
- H413
- REACH Registrations
- Active
Chemistry & industry
Suppliers4 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
上海齐奥化工科技有限公司021-58892003 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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