Basic information
- CAS
64577-91-9- Standard SMILES
CCCCOC(C)OCCc1ccccc1- InChIKey
JBEADRDKGADTFN-UHFFFAOYSA-N- Molecular formula
- C14H22O2
- Average molar mass
- 222.32 g/mol
- Monoisotopic mass
- 222.16197994
Overview
Acetaldehyde butyl phenethyl acetal is a member of benzenes.
Names & identifiers
- Preferred name
- Acetaldehyde butyl phenethyl acetal
- IUPAC
- 2-(1-butoxyethoxy)ethylbenzene
- English name
- [2-(1-butoxyethoxy)ethyl]benzene
- Molecular formula
- C14H22O2
- Molecular weight
- 222.32
Names & synonyms
(2-(1-Butoxyethoxy)ethyl)benzene64577-91-9Acetaldehyde butyl phenethyl acetal2-Butoxy-2-phenylethoxyethane[2-(1-Butoxyethoxy)ethyl]benzeneAcetaldehyde, butyl phenylethyl acetalFEMA No. 3125KZ6JI8OWWEBenzene, (2-(1-butoxyethoxy)ethyl)-EINECS 264-948-9Benzene, [2-(1-butoxyethoxy)ethyl]-DTXSID50867084
Show more names
ACETALDEHYDEBUTYLPHENETHYLACETAL
1-Butoxy-1-(2-phenylethoxy)ethaneACETALDEHYDE, BUTYL PHENETHYL ACETAL [FHFI]ACETALDEHYDE, BUTYL PHENETHYL ACETALRefChem:551482DTXCID80815295Benzene, 2-(1-butoxyethoxy)ethyl-(+-)-ACETALDEHYDE BUTYL PHENETHYL ACETALACETALDEHYDE BUTYL PHENETHYL ACETAL, (+-)-
Database identifiers
- CAS
64577-91-9- PubChem CID
- 62876
- DTXSID
DTXSID50867084- ChEBI
CHEBI:174143- UNII
- KZ6JI8OWWE
- EC Number
- 264-948-9
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 8
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 153
Experimental & physicochemical properties
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.923-0.935
Flavoring AgentsEU Flavoring substances
Solubility
Miscible in oils
Miscible at room temperature (in ethanol)
Boiling Point
280.00 to 282.00 °C. @ 760.00 mm Hg
280-282 °C
Refractive Index1.467-1.481
Physical DescriptionColourless liquid; leafy aroma
Physicochemical properties
- Boiling point
- 278.6 · 278.6±15.0 °C(Predicted)
- Density
- 0.948 · 0.948±0.06 g/cm3(Predicted)
- FEMA
- 3125 · 3125 | ACETALDEHYDE BUTYL PHENETHYL ACETAL
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory Information
Chemical: Benzene, [2-(1-butoxyethoxy)ethyl]-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Benzene, 2-(1-butoxyethoxy)ethyl-: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Safety data
- tsca
- TSCA listed
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
Uses & manufacturing
Use Classification
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
General Manufacturing InformationBenzene, [2-(1-butoxyethoxy)ethyl]-: INACTIVE
Applications
DescriptionA liquid with a green leafy aroma and a green paper taste.
Suppliers6 total
Xiamen AmoyChem Co., Ltd+86-86-5926051114 · [email protected]
厦门志信化学有限公司+86-5922680277 +86-13806087780 · [email protected]
BOC Sciences[email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
Mainchem Co., Ltd.+86-86-05926210733 · [email protected]
Additional notes
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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