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Basic information
- CAS
688-82-4- Standard SMILES
CCCCCCC(OCC)OCC- InChIKey
UGOCNHASEZIJFQ-UHFFFAOYSA-N- Molecular formula
- C11H24O2
- Average molar mass
- 188.31 g/mol
- Monoisotopic mass
- 188.17763
Names & identifiers
- Preferred name
- Heptane, 1,1-diethoxy-
- IUPAC
- 1,1-diethoxyheptane
- English name
- HEPTANAL-DIETHYLACETAL
- Molecular formula
- C11H24O2
- Molecular weight
- 188.31
Names & synonyms
1,1-Diethoxyheptane688-82-4Heptane, 1,1-diethoxy-EINECS 211-707-0DTXSID9060996RefChem:783653DTXCID4046234211-707-0Heptanal-diethylacetalHeptanal, diethyl acetalheptanal diethyl acetalMFCD00672775
Show more names
1,1-diethoxy-heptan1,1-diethoxy-Heptane
n-Heptanal diethyl acetalHeptaldehyde diethyl acetalenanthaldehyde diethyl acetalSCHEMBL113618AKOS006243256DB-326444NS00012514Q63395220
Database identifiers
- CAS
688-82-4- PubChem CID
- 69644
- DTXSID
DTXSID9060996- EC Number
- 211-707-0
- Nikkaji
- J103.784F
Properties
Computed structural propertiesFilling in
- XLogP
- 3.7
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 9
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 88
Physicochemical properties
- Boiling point
- 203 · 203-205 °C
- Density
- 0.835 g/cm3 · 0.835 g/cm3(Temp: 19 °C)
- FLAVIS Number
- 6.021 · 06.021 | 1,1-Diethoxyheptane
- Cosmetics Ingredients Functions
- PERFUMING
- LogP
- 3.569 · 3.569 (est)
- EPA Substance Registry System
- 1 · Heptane, 1,1-diethoxy- (688-82-4)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Applications
Uses1,1-Diethoxyheptane-d10 is a deuterated labeled 1,1-Diethoxyheptane[1].
Suppliers17 total
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
苏州市森菲达化工有限公司18796480002 18796480002 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
山东李比希生物医药科技有限公司17866677155 · [email protected]
JINING XINHE CHEMICAL CO., LTD+8615318402391 · [email protected]
山东李比希生物医药科技有限公司15318973357; 15318973357 · [email protected]
天成化工(江苏)有限公司0512-66387919 18662433356 · [email protected]
湖北恒绿源科技有限公司027-88188016 18717196322 · [email protected]
BOC Sciences[email protected]
Shaanxi Dideu New Materials Co. Ltd18192503167 · [email protected]
河南威梯希化工科技有限公司0371-53732842 13383863444 · [email protected]
上海问彩新材料科技有限公司
Related reactions
1 records
Compound notes
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