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α-Amylcinnamaldehyde

CAS 122-40-7C14H18OMW 202.14 g/mol

α-Amylcinnamaldehyde (CAS 122-40-7) — formula C14H18O, molecular weight 202.14 g/mol.

Product Overview

CAS Number122-40-7
Molecular FormulaC14H18O
Molecular Weight202.14 g/mol
Boiling Point284 °C
LogPlog Kow = 4.70
ApplicationsUses: Perfumery, flavoring, Used extensively as a perfume for soap products, Reported uses (ppm):, Table: Reported uses (ppm): (Flavor and Extract Manufacturers' Association, 1994) [Table#7942], Use Classification: Fragrance Ingredients, Flavoring Agents -> JECFA Flavorings Index, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Cosmetics -> Masking, Industry Uses: Photosensitive agent, Fragrance, Flavoring and nutrient, Consumer Uses: Not Known or Reasonably Ascertainable, Household Products: Cosmetics product ingredient: 2-Benzylideneheptanal (AMYL CINNAMAL), Amyl cinnamal is a fragrance allergen. Fragrance allergens are hazardous only to individuals who suffer from fragrance allergies. The Cosmetic Fragrance and Flavor Ingredient Right to Know Act of 2020 requires fragrance allergens included in Annex III of the EU Cosmetics Regulation No. 1223, 2009 be reported to the California Department of Public Health. Fragrance allergens are only required to be reported if present in a rinse-off cosmetic product at a concentration at or above 0.01 percent (100 parts per million) or in a leave-on cosmetic product at a concentration at or above 0.001 percent (10 parts per million)., For more information, you can visit the fragrance allergens webpage on the California Safe Cosmetics Program website:, https:, www.cdph.ca.gov, Programs, CCDPHP, DEODC, OHB, CSCP, Pages, FragranceAllergens.aspx, Product count: 4294, Information on 241 consumer products that contain Amyl Cinnamal in the following categories is provided:, • Auto Products, • Commercial, Institutional, • Inside the Home, • Personal Care, • Pet Care, Methods of Manufacturing: By condensation on n-amyl aldehyde with cinnamic aldehyde. This method of condensation of aromatic aldehydes with aliphatic aldehydes has the maximum yield in alpha-amylcinnamic aldehyde with little formation of the inferior homologs. The methyl, ethyl and propyl amylcinnamic aldehyde analogs exhibit a characteristic scent., IFRA Fragrance Standards: alpha-Amyl cinnamic aldehyde, Amyl cinnamal, Amyl cinnamic aldehyde, α-Amylcinnamaldehyde, α-Amyl ß-phenylacrolein, Heptanal, 2-(phenylmethylene), α-Pentylcinnamaldehyde, α-Pentyl-ß-phenylacrolein, 2-(Phenylmethylene)heptanal, Flomine (commercial name), IFRA_STD_005.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, DERMAL SENSITIZATION AND SYSTEMIC TOXICITY, Due to the possible ingestion of small amounts of fragrance ingredients from their use in products in Categories 1 and 6, materials must not only comply with IFRA Standards but must also be recognized as safe as a flavoring ingredient as defined by the IOFI Code of Practice (www.iofi.org). For more details see chapter 1 of the Guidance for the use of IFRA Standards., Restriction Limits in the Finished Product (%): 0.57999999999999996 [Products applied to the lips], 0.53 [Products applied to the axillae], 0.26 [Products applied to the face, body using fingertips], 7 [Products related to fine fragrances], 2.5 [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)], 0.45 [Products applied to the hands using the hands (palms), primarily leave-on (Hand cream)], 0.11 [Products applied to babies using the hands (palms), primarily leave-on (Baby cream, oil, talc)], 0.064 [Products with oral and lip exposure], 0.26 [Rinse-off products applied to the hair with some hand contact], 0.26 [Leave-on products applied to the hair with some hand contact], 0.11 [Products with significant anogenital exposure (tampon)], 1.5 [Products with body and hand exposure, primarily rinse off], 1.5 [Household care products with mostly hand contact (excluding aerosol, spray products)], 3.5 [Household care products with mostly hand contact (household aerosol, 0.11 [Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure], 0.11 [Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure], No Restriction [Other air care products not intended for direct skin contact, minimal or insignificant transfer to skin], Formulations, Preparations: Grade: Technical, FCC, U.S. Production: 2023: 8, 500, 000 - <10, 000, 000 lb, 2022: 8, 2021: 8, 2020: 8, 2-(phenylmethylene)- is listed as a High Production Volume (HPV) chemical (65FR81686). Chemicals listed as HPV were produced in or imported into the U.S. in >1 million pounds in 1990 and, or 1994. The HPV list is based on the 1990 Inventory Update Rule. (IUR) (40 CFR part 710 subpart B, 51FR21438)., Production volumes for non-confidential chemicals reported under the Inventory Update Rule. [Table#7941], Production volume for non-confidential chemicals reported under the 2006 Inventory Update Rule. Chemical: Heptanal, 2-(phenylmethylene)-. Aggregated National Production Volume: 500, 000 to < 1 million pounds., General Manufacturing Information: All Other Chemical Product and Preparation Manufacturing, All Other Basic Organic Chemical Manufacturing, Soap, Cleaning Compound, and Toilet Preparation Manufacturing, 2-(phenylmethylene)-: ACTIVE

Applications

Documented applications: Uses: Perfumery, flavoring, Used extensively as a perfume for soap products, Reported uses (ppm):, Table: Reported uses (ppm): (Flavor and Extract Manufacturers' Association, 1994) [Table#7942], Use Classification: Fragrance Ingredients, Flavoring Agents -> JECFA Flavorings Index, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Cosmetics -> Masking, Industry Uses: Photosensitive agent, Fragrance, Flavoring and nutrient, Consumer Uses: Not Known or Reasonably Ascertainable, Household Products: Cosmetics product ingredient: 2-Benzylideneheptanal (AMYL CINNAMAL), Amyl cinnamal is a fragrance allergen. Fragrance allergens are hazardous only to individuals who suffer from fragrance allergies. The Cosmetic Fragrance and Flavor Ingredient Right to Know Act of 2020 requires fragrance allergens included in Annex III of the EU Cosmetics Regulation No. 1223, 2009 be reported to the California Department of Public Health. Fragrance allergens are only required to be reported if present in a rinse-off cosmetic product at a concentration at or above 0.01 percent (100 parts per million) or in a leave-on cosmetic product at a concentration at or above 0.001 percent (10 parts per million)., For more information, you can visit the fragrance allergens webpage on the California Safe Cosmetics Program website:, https:, www.cdph.ca.gov, Programs, CCDPHP, DEODC, OHB, CSCP, Pages, FragranceAllergens.aspx, Product count: 4294, Information on 241 consumer products that contain Amyl Cinnamal in the following categories is provided:, • Auto Products, • Commercial, Institutional, • Inside the Home, • Personal Care, • Pet Care, Methods of Manufacturing: By condensation on n-amyl aldehyde with cinnamic aldehyde. This method of condensation of aromatic aldehydes with aliphatic aldehydes has the maximum yield in alpha-amylcinnamic aldehyde with little formation of the inferior homologs. The methyl, ethyl and propyl amylcinnamic aldehyde analogs exhibit a characteristic scent., IFRA Fragrance Standards: alpha-Amyl cinnamic aldehyde, Amyl cinnamal, Amyl cinnamic aldehyde, α-Amylcinnamaldehyde, α-Amyl ß-phenylacrolein, Heptanal, 2-(phenylmethylene), α-Pentylcinnamaldehyde, α-Pentyl-ß-phenylacrolein, 2-(Phenylmethylene)heptanal, Flomine (commercial name), IFRA_STD_005.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, DERMAL SENSITIZATION AND SYSTEMIC TOXICITY, Due to the possible ingestion of small amounts of fragrance ingredients from their use in products in Categories 1 and 6, materials must not only comply with IFRA Standards but must also be recognized as safe as a flavoring ingredient as defined by the IOFI Code of Practice (www.iofi.org). For more details see chapter 1 of the Guidance for the use of IFRA Standards., Restriction Limits in the Finished Product (%): 0.57999999999999996 [Products applied to the lips], 0.53 [Products applied to the axillae], 0.26 [Products applied to the face, body using fingertips], 7 [Products related to fine fragrances], 2.5 [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)], 0.45 [Products applied to the hands using the hands (palms), primarily leave-on (Hand cream)], 0.11 [Products applied to babies using the hands (palms), primarily leave-on (Baby cream, oil, talc)], 0.064 [Products with oral and lip exposure], 0.26 [Rinse-off products applied to the hair with some hand contact], 0.26 [Leave-on products applied to the hair with some hand contact], 0.11 [Products with significant anogenital exposure (tampon)], 1.5 [Products with body and hand exposure, primarily rinse off], 1.5 [Household care products with mostly hand contact (excluding aerosol, spray products)], 3.5 [Household care products with mostly hand contact (household aerosol, 0.11 [Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure], 0.11 [Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure], No Restriction [Other air care products not intended for direct skin contact, minimal or insignificant transfer to skin], Formulations, Preparations: Grade: Technical, FCC, U.S. Production: 2023: 8, 500, 000 - <10, 000, 000 lb, 2022: 8, 2021: 8, 2020: 8, 2-(phenylmethylene)- is listed as a High Production Volume (HPV) chemical (65FR81686). Chemicals listed as HPV were produced in or imported into the U.S. in >1 million pounds in 1990 and, or 1994. The HPV list is based on the 1990 Inventory Update Rule. (IUR) (40 CFR part 710 subpart B, 51FR21438)., Production volumes for non-confidential chemicals reported under the Inventory Update Rule. [Table#7941], Production volume for non-confidential chemicals reported under the 2006 Inventory Update Rule. Chemical: Heptanal, 2-(phenylmethylene)-. Aggregated National Production Volume: 500, 000 to < 1 million pounds., General Manufacturing Information: All Other Chemical Product and Preparation Manufacturing, All Other Basic Organic Chemical Manufacturing, Soap, Cleaning Compound, and Toilet Preparation Manufacturing, 2-(phenylmethylene)-: ACTIVE.

Technical Profile

What this product is

α-Amylcinnamaldehyde is a chemical compound with CAS registry number 122-40-7 and molecular formula C14H18O (molecular weight 202.14 g/mol).

Identification

CAS number: 122-40-7

Its molecular formula C14H18O comprises 14 C, 18 H, 1 O atoms.

Also known as: α-Amylcinnamaldehyde · alpha-amylcinnamaldehyde, mixture of cis and

Frequently Asked Questions

What is the CAS number of α-Amylcinnamaldehyde?

The CAS registry number of α-Amylcinnamaldehyde is 122-40-7.

What is the molecular formula and molecular weight of α-Amylcinnamaldehyde?

Molecular formula C14H18O, molecular weight 202.14 g/mol.

What other names is α-Amylcinnamaldehyde known by?

It is also registered under: α-Amylcinnamaldehyde, alpha-amylcinnamaldehyde, mixture of cis and.

What are the documented applications of α-Amylcinnamaldehyde?

Recorded applications: Uses: Perfumery, flavoring, Used extensively as a perfume for soap products, Reported uses (ppm):, Table: Reported uses (ppm): (Flavor and Extract Manufacturers' Association, 1994) [Table#7942], Use Classification: Fragrance Ingredients, Flavoring Agents -> JECFA Flavorings Index, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Cosmetics -> Masking, Industry Uses: Photosensitive agent, Fragrance, Flavoring and nutrient, Consumer Uses: Not Known or Reasonably Ascertainable, Household Products: Cosmetics product ingredient: 2-Benzylideneheptanal (AMYL CINNAMAL), Amyl cinnamal is a fragrance allergen. Fragrance allergens are hazardous only to individuals who suffer from fragrance allergies. The Cosmetic Fragrance and Flavor Ingredient Right to Know Act of 2020 requires fragrance allergens included in Annex III of the EU Cosmetics Regulation No. 1223, 2009 be reported to the California Department of Public Health. Fragrance allergens are only required to be reported if present in a rinse-off cosmetic product at a concentration at or above 0.01 percent (100 parts per million) or in a leave-on cosmetic product at a concentration at or above 0.001 percent (10 parts per million)., For more information, you can visit the fragrance allergens webpage on the California Safe Cosmetics Program website:, https:, www.cdph.ca.gov, Programs, CCDPHP, DEODC, OHB, CSCP, Pages, FragranceAllergens.aspx, Product count: 4294, Information on 241 consumer products that contain Amyl Cinnamal in the following categories is provided:, • Auto Products, • Commercial, Institutional, • Inside the Home, • Personal Care, • Pet Care, Methods of Manufacturing: By condensation on n-amyl aldehyde with cinnamic aldehyde. This method of condensation of aromatic aldehydes with aliphatic aldehydes has the maximum yield in alpha-amylcinnamic aldehyde with little formation of the inferior homologs. The methyl, ethyl and propyl amylcinnamic aldehyde analogs exhibit a characteristic scent., IFRA Fragrance Standards: alpha-Amyl cinnamic aldehyde, Amyl cinnamal, Amyl cinnamic aldehyde, α-Amylcinnamaldehyde, α-Amyl ß-phenylacrolein, Heptanal, 2-(phenylmethylene), α-Pentylcinnamaldehyde, α-Pentyl-ß-phenylacrolein, 2-(Phenylmethylene)heptanal, Flomine (commercial name), IFRA_STD_005.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, DERMAL SENSITIZATION AND SYSTEMIC TOXICITY, Due to the possible ingestion of small amounts of fragrance ingredients from their use in products in Categories 1 and 6, materials must not only comply with IFRA Standards but must also be recognized as safe as a flavoring ingredient as defined by the IOFI Code of Practice (www.iofi.org). For more details see chapter 1 of the Guidance for the use of IFRA Standards., Restriction Limits in the Finished Product (%): 0.57999999999999996 [Products applied to the lips], 0.53 [Products applied to the axillae], 0.26 [Products applied to the face, body using fingertips], 7 [Products related to fine fragrances], 2.5 [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)], 0.45 [Products applied to the hands using the hands (palms), primarily leave-on (Hand cream)], 0.11 [Products applied to babies using the hands (palms), primarily leave-on (Baby cream, oil, talc)], 0.064 [Products with oral and lip exposure], 0.26 [Rinse-off products applied to the hair with some hand contact], 0.26 [Leave-on products applied to the hair with some hand contact], 0.11 [Products with significant anogenital exposure (tampon)], 1.5 [Products with body and hand exposure, primarily rinse off], 1.5 [Household care products with mostly hand contact (excluding aerosol, spray products)], 3.5 [Household care products with mostly hand contact (household aerosol, 0.11 [Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure], 0.11 [Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure], No Restriction [Other air care products not intended for direct skin contact, minimal or insignificant transfer to skin], Formulations, Preparations: Grade: Technical, FCC, U.S. Production: 2023: 8, 500, 000 - <10, 000, 000 lb, 2022: 8, 2021: 8, 2020: 8, 2-(phenylmethylene)- is listed as a High Production Volume (HPV) chemical (65FR81686). Chemicals listed as HPV were produced in or imported into the U.S. in >1 million pounds in 1990 and, or 1994. The HPV list is based on the 1990 Inventory Update Rule. (IUR) (40 CFR part 710 subpart B, 51FR21438)., Production volumes for non-confidential chemicals reported under the Inventory Update Rule. [Table#7941], Production volume for non-confidential chemicals reported under the 2006 Inventory Update Rule. Chemical: Heptanal, 2-(phenylmethylene)-. Aggregated National Production Volume: 500, 000 to < 1 million pounds., General Manufacturing Information: All Other Chemical Product and Preparation Manufacturing, All Other Basic Organic Chemical Manufacturing, Soap, Cleaning Compound, and Toilet Preparation Manufacturing, 2-(phenylmethylene)-: ACTIVE.

PubChem Public Data

Independent reference data for α-Amylcinnamaldehyde (CAS 122-40-7), compiled from public chemistry databases.

Registry identifiers across databases

CAS Registry Number122-40-7
PubChem CID31209
Molecular formulaC14H18O
Molecular weight202.14 g/mol
IUPAC name2-benzylideneheptanal
InChIKeyHMKKIXGYKWDQSV-UHFFFAOYSA-N
UNII (FDA)NS00079153
ChEBI IDCHEBI:196097
FEMA number2061
JECFA number685

Computed descriptors

Molecular Weight202.29
XLogP34.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count6
Exact Mass202.135765193
Monoisotopic Mass202.135765193
Topological Polar Surface Area17.1
Heavy Atom Count15

Physicochemical values on record

Boiling Point284 °C
Boiling Point284-287 °C
Density0.9711 g/cu cm at 20 °C
Density0.962-0.969
LogPlog Kow = 4.70
Refractive Index1.554-1.562

Documented uses on record

    Used extensively as a perfume for soap productsTable: Reported uses (ppm): (Flavor and Extract Manufacturers' Association, 1994) [Table#7942]

    Synonyms and trade names

    alpha-Amylcinnamaldehyde; 122-40-7; Amylcinnamaldehyde; DTXSID8029157; Heptanal, 2-(phenylmethylene)-; FEMA No. 2061; DTXCID409157; NSC-6649; RefChem:1076959; 2-(Phenylmethylene)-Heptanal; 2-Benzylideneheptanal; 2-(phenylmethylidene)heptanal; a-amylcinnamaldehyde; 2-benzylidenheptanal; Pentyl cinnamaldehyde; |?-Amylcinnamaldehyde

    Regulatory listings held on file

    Regulatory & Food ContactEU Flavoring substances
    FDA Substance added to food: FLAVORING AGENT OR ADJUVANT
    Flavoring Agents
    FLAVOURING_AGENT: Flavouring Agent
    Fruit
    No safety concern at current levels of intake when used as a flavouring agent
    GHS notification summary0.1% (1 / 2175)

    GHS hazard classification

    GHS notification summary0.1% (1 / 2175)
    Reported hazard statementsH317 (94.2%), H411 (98.2%), H315, H400, H410

    This chemical does not meet GHS hazard criteria for < 0.1% (1 of 2175) of reports.

    H317 (94.2%): May cause an allergic skin reaction [Warning Sensitization, Skin]

    What the public record says

    α-Amylcinnamaldehyde is identified by CAS 122-40-7, molecular formula C14H18O and molecular weight 202.14 g/mol. UNII NS00079153; ChEBI 196097; InChIKey HMKKIXGYKWDQSV-UHFFFAOYSA-N. Boiling Point: 284 °C; Boiling Point: 284-287 °C; Density: 0.9711 g/cu cm at 20 °C.

    Physical description and handling notes

    Source: PubChem / Wikidata; the batch COA governs where values differ.

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