Basic information
- CAS
91-87-2- Standard SMILES
CCCCCC(=Cc1ccccc1)C(OC)OC- InChIKey
QCHZKUPVENJLAW-UHFFFAOYSA-N- Molecular formula
- C16H24O2
- Average molar mass
- 248.36 g/mol
- Monoisotopic mass
- 248.17763
Overview
[2-(Dimethoxymethyl)-1-heptenyl]benzene is a member of benzenes.
Names & identifiers
- Preferred name
- [2-(Dimethoxymethyl)-1-heptenyl]benzene
- IUPAC
- 2-(dimethoxymethyl)hept-1-enylbenzene
- English name
- FEMA 2062
- Molecular formula
- C16H24O2
- Molecular weight
- 248.36
Names & synonyms
2-(dimethoxymethyl)hept-1-enylbenzene91-87-2[2-(Dimethoxymethyl)-1-heptenyl]benzene(2-(Dimethoxymethyl)hept-1-en-1-yl)benzene[2-(dimethoxymethyl)hept-1-en-1-yl]benzenealpha-amyl cinnamaldehyde dimethyl acetalSCHEMBL874602orb2645960DTXSID1052612CHEBI:171701QCHZKUPVENJLAW-UHFFFAOYSA-NAAA09187
Show more names
ALPHA-AMYLCINNAMALDEHYDE DIMETHYL ACETALFEMA 20622-dimethoxymethyl-1-phenylhept-1-eneα-Amylcinnamaldehyde dimethyl acetalAMYL CINNAMIC ALDEHYDE DIMETHYL ACETAL[2-(Dimethoxymethyl)-1-heptenyl]benzolα-Amylcinnamaldehyde dimethyl acetal[2-(dimethoxymethyl)-1-heptenyl]-benzen[2-(dimethoxymethyl)-1-heptenyl]-BenzeneBenzene, 2-(dimethoxymethyl)-1-heptenyl-
?-Amylcinnamaldehyde dimethyl acetalNS00011961alpha-Amylcinnamaldehyde Dimethyl Acetal; a-Amylcinnamaldehyde dimethyl acetal
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 8
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 225
Experimental & physicochemical properties
FragrancesFragrance substance (alpha-Amylcinnamicaldehyde dimethyl acetal) -> IFRA amendment 51
Density0.954-0.963
Solubility
slightly soluble in water
miscible (in ethanol)
Boiling Point300 °C
Refractive Index1.504-1.511
Physical DescriptionAlmost colourless to pale yellow, floral odour reminiscent of jasmine
Physicochemical properties
- Boiling point
- 300 °C · 300 °C(lit.)
- Density
- 0.959 g/mL · 0.959 g/mL at 25 °C(lit.)
- FEMA
- 2062 · 2062 | ALPHA-AMYLCINNAMALDEHYDE DIMETHYL ACETAL
- refractive index
- 20 · n20/D 1.508(lit.)
- FLAVIS Number
- 6.013 · 06.013 | alpha-Pentylcinnamaldehyde dimethyl 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.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 85.8% (235 of 274) of all reports.
Warning
H315 (14.2%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 274 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (14.2%)
Safety data
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- GD6837500
- hs_code
- 2911005000
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Storage Class
- 10 - Combustible liquids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P305+P351+P338
Chemistry & industry
Uses & manufacturing
IFRA Fragrance Standards
alpha-Amylcinnamicaldehyde dimethyl acetal
alpha-Amylcinnamicaldehyde dimethyl acetal; α-Amylcinnamicaldehyde dimethyl acetal; alpha-Amylcinnamaldehyde dimethyl acetal; α-Amylcinnamaldehyde dimethyl acetal; [2-(Dimethoxymethyl)hept-1-en-1-yl]benzene; 1,1-Dimethoxy-2-amyl-3-phenyl-2-propene; 1,1-Dimethoxy-2-benzylideneheptane; alpha-Amyl-beta-phenylacrolein dimethyl acetal; α-Amyl-β-phenylacrolein dimethyl acetal; alpha-Pentylcinnamaldehyde dimethyl acetal; α-Pentylcinnamaldehyde dimethyl acetal; Benzene, [2-(dimethoxymethyl)-1-heptenyl]-; [2-(Dimethoxymethyl)-1-heptenyl]benzene
IFRA_STD_240.pdf
51
IFRA 51st Amendment - Guidance for the use of IFRA Standards
Restriction: This material should be used only in the limited quantity as stated in the Standard
Use ClassificationFlavoring Agents -> JECFA Flavorings Index
Restriction Limits in the Finished Product (%)
0.063 [Products applied to the lips]
0.019 [Products applied to the axillae]
0.38 [Products applied to the face/body using fingertips]
0.35 [Products related to fine fragrances]
0.089 [Products applied to the body using the hands (palms), primarily leave-on (Body lotion)]
0.089 [Products applied to the face using the hands (palms), primarily leave-on (Face moisturizer)]
Applications
Usesa-Amylcinnamaldehyde Dimethyl Acetal can be useful in the study of screening criteria for long-range transport potential of organic substances in water.
Preparation methods
Preparationα-Amylcinnamaldehyde dimethyl acetal is produced from Amylcinnamic aide Methyl alcohol by condensation.
Upstream & downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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