CAS 122-40-7PubChem CID 31209
Amylcinnamaldehyde
Pentyl cinnamaldehyde is a member of cinnamaldehydes. — ChEBI
- IUPAC name
- 2-benzylideneheptanal
- Molecular formula
- C14H18O
- Molecular weight
- 202.29 g/mol
- Exact mass
- 202.135765193 Da
- XLogP3
- 4.2
- Topological polar surface area
- 17.1 Ų
- Hydrogen-bond donors
- 0
- Hydrogen-bond acceptors
- 1
- Covalent units
- 1
- Defined stereocentres
- 0
Also known as
alpha-AmylcinnamaldehydeHeptanal, 2-(phenylmethylene)-FEMA No. 2061NSC-6649RefChem:10769592-(Phenylmethylene)-Heptanal2-(phenylmethylidene)heptanala-amylcinnamaldehyde
11 more reported names
2-benzylidenheptanalPentyl cinnamaldehyde|?-Amylcinnamaldehydealpha-amyl-cinnamaldehyde2-Amyl-3-phenylacrylaldehyde2-Amyl-3-phenyl-2-propenalCHEBI:196097NCI60_022351DB-041667A0851alpha-Amylcinnamaldehyde (mixture of cis and trans)
External database identifiers
- ChEBI:CHEBI:196097
- ChEMBL:CHEMBL3183519
- EPA DTXSID:DTXSID8029157
- PubMed:26795242
- PubMed:20074740
- PubMed:18991702
- PubMed:17577350
- PubMed:15025500
- PubMed:11380544
- PubMed:11312644
Evidence from additional scientific databases
NIH PubChem PUG-View
Exact identifier match31209
Attributed physical-property, hazard, environmental and use annotations.
- Boiling Point: 284 °C Source: Hazardous Substances Data Bank (HSDB)
- Boiling Point: 284-287 °C Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Color/Form: Clear, yellow, oily liquid Source: Hazardous Substances Data Bank (HSDB)
- Density: 0.9711 g/cu cm at 20 °C Source: Hazardous Substances Data Bank (HSDB)
- Density: 0.962-0.969 Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- LogP: log Kow = 4.70 Source: Hazardous Substances Data Bank (HSDB)
- Odor: Jasmine-like odor Source: Hazardous Substances Data Bank (HSDB)
- Physical Description: CBI; Liquid Source: EPA Chemical Data Reporting (CDR)
- Physical Description: Pale yellowish liquid, strong floral odour suggestive of jasmine Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Refractive Index: Index of Refraction: 1.5381 at 20 °C Source: Hazardous Substances Data Bank (HSDB)
- Refractive Index: 1.554-1.562 Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Solubility: Soluble in acetone, carbon tetrachloride Source: Hazardous Substances Data Bank (HSDB)
- Solubility: Soluble in 6 volumes of 80% alcohol Source: Hazardous Substances Data Bank (HSDB)
- Solubility: Insoluble in water Source: Hazardous Substances Data Bank (HSDB)
- Solubility: insoluble in water Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Solubility: miscible (in ethanol) Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Carcinogen Classification: No indication of carcinogenicity to humans (not listed by IARC). Source: Toxin and Toxin Target Database (T3DB)
- Note: This chemical does not meet GHS hazard criteria for < 0.1% (1 of 2175) of reports. Source: European Chemicals Agency (ECHA)
- Signal: Warning Source: European Chemicals Agency (ECHA)
- GHS Hazard Statements: H317 (94.2%): May cause an allergic skin reaction [Warning Sensitization, Skin]; H411 (98.2%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard] Source: European Chemicals Agency (ECHA)
- Precautionary Statement Codes: P261, P272, P273, P280, P302+P352, P321, P333+P317, P362+P364, P391, and P501 (click each P-code to see the statement) Source: European Chemicals Agency (ECHA)
- ECHA C&L Notifications Summary: Aggregated GHS information provided per 2175 reports by companies from 20 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.; Reported as not meeting GHS hazard criteria per 1 of 2175 reports by companies.; There are 19 notifications provided by 2174 of 2175 reports by companies with hazard statement code(s).; Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. Source: European Chemicals Agency (ECHA)
- Signal: Warning Source: NITE-CMC
- GHS Hazard Statements: H315: Causes skin irritation [Warning Skin corrosion/irritation]; H317: May cause an allergic skin reaction [Warning Sensitization, Skin]; H400: Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]; H410: Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard] Source: NITE-CMC
- Precautionary Statement Codes: P261, P264, P272, P273, P280, P302+P352, P321, P332+P317, P333+P317, P362+P364, P391, and P501 (click each P-code to see the statement) Source: NITE-CMC
- Signal: Warning Source: Hazardous Chemical Information System (HCIS), Safe Work Australia
- GHS Hazard Statements: H315: Causes skin irritation [Warning Skin corrosion/irritation]; H317: May cause an allergic skin reaction [Warning Sensitization, Skin] Source: Hazardous Chemical Information System (HCIS), Safe Work Australia
- Precautionary Statement Codes: P261, P264, P272, P280, P302+P352, P321, P332+P317, P333+P317, P362+P364, and P501 (click each P-code to see the statement) Source: Hazardous Chemical Information System (HCIS), Safe Work Australia
- Environmental Bioconcentration: An estimated BCF of 586 was calculated in fish for alpha-amyl cinnamaldehyde(SRC), using a log Kow of 4.70(1) and a regression-derived equation(2). According to a classification scheme(3), this BCF suggests the potential for bioconcentration in aquatic organisms is high(SRC), provided the compound is not metabolized by the organism(SRC). Source: Hazardous Substances Data Bank (HSDB)
- Environmental Fate: TERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 680(SRC), determined from a structure estimation method(2), indicates that alpha-amyl cinnamaldehyde is expected to have low mobility in soil(SRC). Volatilization of alpha-amyl cinnamaldehyde from moist soil surfaces is expected to be an important fate process(SRC) given an estimated Henry's Law constant of 7.8X10-6 atm-cu m/mole(SRC), using a fragment constant estimation method(1). alpha-Amyl cinnamaldehyde is not expected to volatilize from dry soil surfaces based upon an estimated vapor pressure of 0.00431 mm Hg(SRC), determined from a fragment constant method(1); however, alpha-amyl cinnamaldehyde does volatilize in its consumer use as a perfume in soaps and detergents(3). Biodegradation is expected to be an important fate process in soil based on results of various various screening test(SRC). alpha-Amyl cinnamaldehyde, present at 100 mg/L, reached 51% of its theoretical BOD in 4 weeks using an activated sludge inoculum at 30 mg/L in the Japanese MITI test(4). Using OECD Method 301B (CO2 evolution), alpha-amyl cinnamaldehyde had a 65% degradation in 28 days indicating it was readily biodegradable( Source: Hazardous Substances Data Bank (HSDB)
- Environmental Fate: AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 680(SRC), determined from a structure estimation method(2), indicates that alpha-amyl cinnamaldehyde is expected to adsorb to suspended solids and sediment(SRC). Volatilization from water surfaces is expected(3) based upon an estimated Henry's Law constant of 7.8X10-6 atm-cu m/mole(SRC), developed using a fragment constant estimation method(2). Using this Henry's Law constant and an estimation method(3), volatilization half-lives for a model river and model lake are 6.8 and 54 days, respectively(SRC). According to a classification scheme(4), an estimated BCF of 586(SRC), from a log Kow of 4.70(5), suggests the potential for bioconcentration in aquatic organisms is high(SRC). alpha-Amyl cinnamaldehyde is stable to hydrolysis in water(5); the aldehyde group has a potential to oxidize to carboxylic acid in water(5). Biodegradation is expected to be an important fate process in water based on results of various various screening test(SRC). alpha-Amyl cinnamaldehyde, present at 100 mg/L, reached 51% of its theoretical BOD in 4 weeks using an activated sludge inoculum at 30 mg/L in the Japanese MITI test(6). Usi Source: Hazardous Substances Data Bank (HSDB)
- Environmental Fate: ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), alpha-amyl cinnamaldehyde, which has an estimated vapor pressure of 0.00431 mm Hg at 25 °C(SRC), determined from a fragment constant method(2), is expected to exist solely as a vapor in the ambient atmosphere. Vapor-phase alpha-amyl cinnamaldehyde is degraded in the atmosphere by reaction with photochemically-produced hydroxyl radicals(SRC); the half-life for this reaction in air is estimated to be 7.2 hours(SRC), calculated from its rate constant of 5.4X10-11 cu cm/molecule-sec at 25 °C(SRC) that was derived using a structure estimation method(2). Vapor-phase alpha-amyl cinnamaldehyde is also degraded in the atmosphere by reaction with ozone(SRC); the half-life for this reaction in air is estimated to be 12.6 hours(SRC), calculated from its rate constant of 2.2X10-17 cu cm/molecule-sec at 25 °C(SRC) that was derived using a structure estimation method(2). Source: Hazardous Substances Data Bank (HSDB)
- Consumer Uses: Not Known or Reasonably Ascertainable; Fragrance Source: EPA Chemical Data Reporting (CDR)
- Industry Uses: Photosensitive agent; Fragrance; Flavoring and nutrient Source: EPA Chemical Data Reporting (CDR)
- Uses: Perfumery, flavoring Source: Hazardous Substances Data Bank (HSDB)
- Uses: Used extensively as a perfume for soap products Source: Hazardous Substances Data Bank (HSDB)
- Uses: Reported uses (ppm):; Table: Reported uses (ppm): (Flavor and Extract Manufacturers' Association, 1994) [Table#7942] Source: Hazardous Substances Data Bank (HSDB)
Mapped by: Existing checksum-valid CAS to unique PubChem CID match. Retrieved: 2026-08-31. Open source record
Scientific classifications and hazard annotations provide context and do not replace the market-specific regulatory decision shown above.
Additional source coverage and match status
| Source | Result | Checked |
|---|---|---|
| NIH PubChem PUG-View | Exact match | 2026-08-31 |
A recorded no-match is useful evidence that the source was checked; it is not a claim that the substance does not exist elsewhere.
Retrieved from NIH PubChem on 2026-08-31 by checksum-valid CAS matching. Chemical properties do not replace the regulatory decision on this page.