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(E)-3-methyl-5-phenylpent-2-enenitrile

CAS 53243-60-0C12H13NMW 171.24

(E)-3-methyl-5-phenylpent-2-enenitrile (CAS 53243-60-0) — formula C12H13N, molecular weight 171.24; category organic chemicals.

Product Overview

CAS Number53243-60-0
Molecular FormulaC12H13N
Molecular Weight171.24
LogP3.3
ApplicationsUse Classification: Fragrance Ingredients, Fragrance Ingredients, Industry Uses: Fragrance, Consumer Uses: Fragrance, Household Products: Information on 6 consumer products that contain Trans-3-Methyl-5-Phenyl-2-Pentenenitrile in the following categories is provided:, • Inside the Home, IFRA Fragrance Standards: 3-Methyl-5-phenylpent-2-enenitrile, 3-Methyl-5-phenylpent-2-enenitrile, 2-Pentenenitrile, 3-methyl-5-phenyl- (isomer unspecified), (Z)-3-Methyl-5-phenylpent-2-enenitrile, 3-methyl-5-phenyl-, (Z)-, (E)-3-Methyl-5-phenylpent-2-enenitrile, (E)-, Citronitrile (commercial name), IFRA_STD_233.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, 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 (%): 0.021 [Products applied to the lips], 0.0062 [Products applied to the axillae], 0.12 [Products applied to the face, body using fingertips], 0.12 [Products related to fine fragrances], 0.029 [Products applied to the body using the hands (palms), primarily leave-on (Body lotion)], 0.029 [Products applied to the face using the hands (palms), primarily leave-on (Face moisturizer)], 0.029 [Products applied to the hands using the hands (palms), primarily leave-on (Hand cream)], 0.0097 [Products applied to babies using the hands (palms), primarily leave-on (Baby cream, oil, talc)], 0.065 [Products with oral and lip exposure], 0.24 [Rinse-off products applied to the hair with some hand contact], 0.24 [Leave-on products applied to the hair with some hand contact], 0.0097 [Products with significant anogenital exposure (tampon)], 0.23 [Products with body and hand exposure, primarily rinse off], 0.81 [Household care products with mostly hand contact (excluding aerosol, spray products)], 0.81 [Household care products with mostly hand contact (household aerosol, 0.0097 [Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure], 0.0097 [Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure], 65 [Other air care products not intended for direct skin contact, minimal or insignificant transfer to skin], U.S. Production: 2023: 35, 126 lb, 2022: 43, 461 lb, 2021: 55, 665 lb, 2020: 70, 847 lb, General Manufacturing Information: Soap, Cleaning Compound, and Toilet Preparation Manufacturing, (2E)-: ACTIVE
CategoryOrganic Chemicals

Applications

Documented applications: Use Classification: Fragrance Ingredients, Fragrance Ingredients, Industry Uses: Fragrance, Consumer Uses: Fragrance, Household Products: Information on 6 consumer products that contain Trans-3-Methyl-5-Phenyl-2-Pentenenitrile in the following categories is provided:, • Inside the Home, IFRA Fragrance Standards: 3-Methyl-5-phenylpent-2-enenitrile, 3-Methyl-5-phenylpent-2-enenitrile, 2-Pentenenitrile, 3-methyl-5-phenyl- (isomer unspecified), (Z)-3-Methyl-5-phenylpent-2-enenitrile, 3-methyl-5-phenyl-, (Z)-, (E)-3-Methyl-5-phenylpent-2-enenitrile, (E)-, Citronitrile (commercial name), IFRA_STD_233.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, 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 (%): 0.021 [Products applied to the lips], 0.0062 [Products applied to the axillae], 0.12 [Products applied to the face, body using fingertips], 0.12 [Products related to fine fragrances], 0.029 [Products applied to the body using the hands (palms), primarily leave-on (Body lotion)], 0.029 [Products applied to the face using the hands (palms), primarily leave-on (Face moisturizer)], 0.029 [Products applied to the hands using the hands (palms), primarily leave-on (Hand cream)], 0.0097 [Products applied to babies using the hands (palms), primarily leave-on (Baby cream, oil, talc)], 0.065 [Products with oral and lip exposure], 0.24 [Rinse-off products applied to the hair with some hand contact], 0.24 [Leave-on products applied to the hair with some hand contact], 0.0097 [Products with significant anogenital exposure (tampon)], 0.23 [Products with body and hand exposure, primarily rinse off], 0.81 [Household care products with mostly hand contact (excluding aerosol, spray products)], 0.81 [Household care products with mostly hand contact (household aerosol, 0.0097 [Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure], 0.0097 [Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure], 65 [Other air care products not intended for direct skin contact, minimal or insignificant transfer to skin], U.S. Production: 2023: 35, 126 lb, 2022: 43, 461 lb, 2021: 55, 665 lb, 2020: 70, 847 lb, General Manufacturing Information: Soap, Cleaning Compound, and Toilet Preparation Manufacturing, (2E)-: ACTIVE.

Technical Profile

What this product is

(E)-3-methyl-5-phenylpent-2-enenitrile is a carbon-based organic compound with CAS registry number 53243-60-0 and molecular formula C12H13N (molecular weight 171.24), belonging to the organic chemicals segment of chemical raw materials.

Identification

CAS number: 53243-60-0

Its molecular formula C12H13N comprises 12 C, 13 H, 1 N atoms.

Also known as: (E)-3-methyl-5-phenylpent-2-enenitrile · E-3-甲基-5-苯基-2-戊烯腈

Category: organic chemicals

Frequently Asked Questions

What is the CAS number of (E)-3-methyl-5-phenylpent-2-enenitrile?

The CAS registry number of (E)-3-methyl-5-phenylpent-2-enenitrile is 53243-60-0.

What is the molecular formula and molecular weight of (E)-3-methyl-5-phenylpent-2-enenitrile?

Molecular formula C12H13N, molecular weight 171.24.

What other names is (E)-3-methyl-5-phenylpent-2-enenitrile known by?

It is also registered under: (E)-3-methyl-5-phenylpent-2-enenitrile, E-3-甲基-5-苯基-2-戊烯腈.

What are the documented applications of (E)-3-methyl-5-phenylpent-2-enenitrile?

Recorded applications: Use Classification: Fragrance Ingredients, Fragrance Ingredients, Industry Uses: Fragrance, Consumer Uses: Fragrance, Household Products: Information on 6 consumer products that contain Trans-3-Methyl-5-Phenyl-2-Pentenenitrile in the following categories is provided:, • Inside the Home, IFRA Fragrance Standards: 3-Methyl-5-phenylpent-2-enenitrile, 3-Methyl-5-phenylpent-2-enenitrile, 2-Pentenenitrile, 3-methyl-5-phenyl- (isomer unspecified), (Z)-3-Methyl-5-phenylpent-2-enenitrile, 3-methyl-5-phenyl-, (Z)-, (E)-3-Methyl-5-phenylpent-2-enenitrile, (E)-, Citronitrile (commercial name), IFRA_STD_233.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, 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 (%): 0.021 [Products applied to the lips], 0.0062 [Products applied to the axillae], 0.12 [Products applied to the face, body using fingertips], 0.12 [Products related to fine fragrances], 0.029 [Products applied to the body using the hands (palms), primarily leave-on (Body lotion)], 0.029 [Products applied to the face using the hands (palms), primarily leave-on (Face moisturizer)], 0.029 [Products applied to the hands using the hands (palms), primarily leave-on (Hand cream)], 0.0097 [Products applied to babies using the hands (palms), primarily leave-on (Baby cream, oil, talc)], 0.065 [Products with oral and lip exposure], 0.24 [Rinse-off products applied to the hair with some hand contact], 0.24 [Leave-on products applied to the hair with some hand contact], 0.0097 [Products with significant anogenital exposure (tampon)], 0.23 [Products with body and hand exposure, primarily rinse off], 0.81 [Household care products with mostly hand contact (excluding aerosol, spray products)], 0.81 [Household care products with mostly hand contact (household aerosol, 0.0097 [Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure], 0.0097 [Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure], 65 [Other air care products not intended for direct skin contact, minimal or insignificant transfer to skin], U.S. Production: 2023: 35, 126 lb, 2022: 43, 461 lb, 2021: 55, 665 lb, 2020: 70, 847 lb, General Manufacturing Information: Soap, Cleaning Compound, and Toilet Preparation Manufacturing, (2E)-: ACTIVE.

Which category does (E)-3-methyl-5-phenylpent-2-enenitrile belong to?

Category: Organic Chemicals.

PubChem Public Data

Independent reference data for (E)-3-methyl-5-phenylpent-2-enenitrile (CAS 53243-60-0), compiled from public chemistry databases.

Registry identifiers across databases

CAS 号53243-60-0
PubChem CID1585264
分子式C12H13N
IUPAC 名称(E)-3-methyl-5-phenylpent-2-enenitrile
UNII(FDA)HMS1577L16

Computed descriptors

Molecular Weight171.24
XLogP33.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Exact Mass171.104799419
Monoisotopic Mass171.104799419
Topological Polar Surface Area23.8
Heavy Atom Count13

Synonyms and trade names

3-Methyl-5-phenylpent-2-enenitrile; (E)-3-Methyl-5-phenylpent-2-enenitrile; 93893-89-1; 53243-60-0; 2-Pentenenitrile, 3-methyl-5-phenyl-; 5-Phenyl-3-methyl-2-pentenonitrile; EINECS 258-447-4; EINECS 299-682-2; 2-Pentenenitrile, 3-methyl-5-phenyl-, (E)-; 2-Pentenenitrile, 3-methyl-5-phenyl-, (2E)-; (2E)-3-Methyl-5-phenyl-2-pentenenitrile; DTXSID30860654; RefChem:504004; DTXCID60810187; 258-447-4; 299-682-2

Regulatory listings held on file

GHS 通报统计3.1% (38 / 1207)

GHS hazard classification

GHS 通报统计3.1% (38 / 1207)
已通报的危害声明H302 (96.9%), H317 (96.9%), H412 (96.9%)

What the public record says

E-3-甲基-5-苯基-2-戊烯腈 · CAS 53243-60-0 · C12H13N. UNII HMS1577L16.

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

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