alpha-Amylcinnamyl alcohol
Basic information
- CAS
101-85-9- Standard SMILES
CCCCCC(=Cc1ccccc1)CO- InChIKey
LIPHCKNQPJXUQF-UHFFFAOYSA-N- Molecular formula
- C14H20O
- Average molar mass
- 204.31 g/mol
- Monoisotopic mass
- 204.15141526
Overview
See also: 2-Pentyl-3-phenylprop-2-en-1-ol (annotation moved to).
Names & identifiers
- Preferred name
- alpha-Amylcinnamyl alcohol
- IUPAC
- 2-benzylideneheptan-1-ol
- English name
- ALPHA-AMYLCINNAMYL ALCOHOL
- Molecular formula
- C14H20O
- Molecular weight
- 204.31
Names & synonyms
101-85-9alpha-Amylcinnamyl alcohol1-Heptanol, 2-(phenylmethylene)-MFCD23701615DTXSID20493932-(Phenylmethylene)-1-heptanolalpha-amyl cinnamyl alcohol(2E)-2-Pentyl-3-phenyl-2-propen-1-ol2-benzylidene-1-heptanoAMYLCINNAMYLICALCOHOLSCHEMBL8728392-(Phenylmethylene)-1-heptano
Show more names
FEMA 2065α-Amylcinnamyl AlcoholAMYL CINNAMIC ALCOHOL2-Benzylideneheptan-1-ol2-BENZYLIDENE-1-HEPTANOLalpha-Amylcinnamic alcohol2-pentyl-3-phenylprop-2-en-1-olalpha-Amylcinnamyl alcohol solutionSKL068BUXINOL
LIPHCKNQPJXUQF-UHFFFAOYSA-NAKOS028108453G923982-Benzylideneheptan-1-ol, (30-35%, mixture with 2-Benzylheptanol )Alpha-Amylcinnamyl alcohol (30-35%, mixture with 2-Benzylheptanol )
Database identifiers
- CAS
101-85-9- PubChem CID
- 7584
- DTXSID
DTXSID2049393
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 6
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 178
Experimental & physicochemical properties
CosmeticsCosmetics ingredient -> Base; Flavor; Fragrance
Fragrances
Fragrance substance (alpha-Amyl cinnamic alcohol) -> IFRA amendment 49
Fragrance Ingredient (alpha-Amylcinnamyl alcohol) -> IFRA transparency List
Food AdditivesFLAVOR ENHANCER, FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Physicochemical properties
- Boiling point
- 141 · 141-143 °C5 mm Hg(lit.)
- Density
- 0.952 g/mL · 0.952 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.519(lit.)
- FEMA
- 2065 · 2065 | ALPHA-AMYLCINNAMYL ALCOHOL
- FLAVIS Number
- 2.03 · 02.030 | alpha-Pentylcinnamyl alcohol
- Flash point
- 230 °F · >230 °F
- storage temp.
- 2 · 2-8°C
- solubility
- Insoluble in water, soluble in alcohol and oils.
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: 1-Heptanol, 2-(phenylmethylene)-
Amyl cinnamyl alcohol: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - Data-poor fragrance chemicals: Environment tier II assessment
Safety data
- F
- 10-23
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- MJ3280000
- ridadr
- UN1230 - class 3 - PG 2 - Methanol, solution
- hs_code
- 2918195000
- Toxicity
- LD50 orl-rat: 4000 mg/kg FCTXAV 12,807,74
- risk_code
- 36
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Storage Class
- 10 - Combustible liquids
- Hazard statements
- H319
- Hazard Classifications
- Eye Irrit. 2
- Precautionary statements
- P305+P351+P338
Chemistry & industry
Uses & manufacturing
IFRA Fragrance Standards
alpha-Amyl cinnamic alcohol
Amylcinnamyl alcohol; α-Amylcinnamyl alcohol; 2-Amyl-3-phenyl-2-propen-1-ol; 2-Benzylideneheptanol; 1-Heptanol, 2-(phenylmethylene)-; α-Pentylcinnamyl alcohol
IFRA_STD_004.pdf
49
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
Household Products
Cosmetics product ingredient: 2-Pentyl-3-phenylprop-2-en-1-ol (AMYLCINNAMYL ALCOHOL)
Information on 37 consumer products that contain Amylcinnamyl Alcohol in the following categories is provided:
Use Classification
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing Information1-Heptanol, 2-(phenylmethylene)-: ACTIVE
Restriction Limits in the Finished Product (%)
0.27 [Products applied to the lips]
0.08 [Products applied to the axillae]
0.64 [Products applied to the face/body using fingertips]
1.5 [Products related to fine fragrances]
0.38 [Products applied to the body using the hands (palms), primarily leave-on (Body lotion)]
0.32 [Products applied to the face using the hands (palms), primarily leave-on (Face moisturizer)]
Applications
UsesPerfumery, flavoring.
Preparation methods
PreparationFrom amylcinnamic aldehyde by reduction.
Upstream & downstream products
Suppliers
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Related reactions
0 records
No reaction records under the current filter.
Compound notes
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