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(S)-.alpha.,alpha.,4-trimethylcyclohex-3-ene-1-methylacetate

CAS 10461-98-0C14H15NMW 197.27

(S)-.alpha.,alpha.,4-trimethylcyclohex-3-ene-1-methylacetate (CAS 10461-98-0) — formula C14H15N, molecular weight 197.27; category organic chemicals.

Product Overview

CAS Number10461-98-0
Molecular FormulaC14H15N
Molecular Weight197.27
LogP3.6
ApplicationsUse Classification: Fragrance Ingredients, Industry Uses: Fragrance, Other, Consumer Uses: Fragrance, Household Products: Information on 23 consumer products that contain 2-cyclohexylidene-2-phenylacetonitrile in the following categories is provided:, • Auto Products, • Inside the Home, IFRA Fragrance Standards: alpha-Cyclohexylidene benzeneacetonitrile, alpha-Cyclohexylidene benzeneacetonitrile, α-Cyclohexylidene benzeneacetonitrile, .delta.1, .alpha.-Cyclohexaneacetonitrile, .alpha.-phenyl-, .δ.1, .α.-Cyclohexaneacetonitrile, .α.-phenyl-, 2-Cyclohexylidene-2-phenylacetonitrile, Benzeneacetonitrile, alpha-cyclohexylidene-, α-cyclohexylidene-, Peonile (commercial name), Rosinile (commercial name), Sensinile (commercial name), IFRA_STD_241.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 (%): 0.052 [Products applied to the lips], 0.027 [Products applied to the axillae], 0.47 [Products applied to the face, body using fingertips], 0.52 [Products related to fine fragrances], 0.13 [Products applied to the body using the hands (palms), primarily leave-on (Body lotion)], 0.13 [Products applied to the face using the hands (palms), primarily leave-on (Face moisturizer)], 0.13 [Products applied to the hands using the hands (palms), primarily leave-on (Hand cream)], 0.043 [Products applied to babies using the hands (palms), primarily leave-on (Baby cream, oil, talc)], 0.052 [Products with oral and lip exposure], 0.94 [Rinse-off products applied to the hair with some hand contact], 0.94 [Leave-on products applied to the hair with some hand contact], 0.043 [Products with significant anogenital exposure (tampon)], 1.0 [Products with body and hand exposure, primarily rinse off], 2.9 [Household care products with mostly hand contact (excluding aerosol, spray products)], 3.6 [Household care products with mostly hand contact (household aerosol, 0.043 [Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure], 0.043 [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], U.S. Production: 2023: 10, 000, 000 - <25, 000 lb, 2022: 10, 2021: 10, 2020: 10, General Manufacturing Information: Soap, Cleaning Compound, and Toilet Preparation Manufacturing, All Other Chemical Product and Preparation Manufacturing, .alpha.-cyclohexylidene-: ACTIVE
CategoryOrganic Chemicals

Applications

Documented applications: Use Classification: Fragrance Ingredients, Industry Uses: Fragrance, Other, Consumer Uses: Fragrance, Household Products: Information on 23 consumer products that contain 2-cyclohexylidene-2-phenylacetonitrile in the following categories is provided:, • Auto Products, • Inside the Home, IFRA Fragrance Standards: alpha-Cyclohexylidene benzeneacetonitrile, alpha-Cyclohexylidene benzeneacetonitrile, α-Cyclohexylidene benzeneacetonitrile, .delta.1, .alpha.-Cyclohexaneacetonitrile, .alpha.-phenyl-, .δ.1, .α.-Cyclohexaneacetonitrile, .α.-phenyl-, 2-Cyclohexylidene-2-phenylacetonitrile, Benzeneacetonitrile, alpha-cyclohexylidene-, α-cyclohexylidene-, Peonile (commercial name), Rosinile (commercial name), Sensinile (commercial name), IFRA_STD_241.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 (%): 0.052 [Products applied to the lips], 0.027 [Products applied to the axillae], 0.47 [Products applied to the face, body using fingertips], 0.52 [Products related to fine fragrances], 0.13 [Products applied to the body using the hands (palms), primarily leave-on (Body lotion)], 0.13 [Products applied to the face using the hands (palms), primarily leave-on (Face moisturizer)], 0.13 [Products applied to the hands using the hands (palms), primarily leave-on (Hand cream)], 0.043 [Products applied to babies using the hands (palms), primarily leave-on (Baby cream, oil, talc)], 0.052 [Products with oral and lip exposure], 0.94 [Rinse-off products applied to the hair with some hand contact], 0.94 [Leave-on products applied to the hair with some hand contact], 0.043 [Products with significant anogenital exposure (tampon)], 1.0 [Products with body and hand exposure, primarily rinse off], 2.9 [Household care products with mostly hand contact (excluding aerosol, spray products)], 3.6 [Household care products with mostly hand contact (household aerosol, 0.043 [Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure], 0.043 [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], U.S. Production: 2023: 10, 000, 000 - <25, 000 lb, 2022: 10, 2021: 10, 2020: 10, General Manufacturing Information: Soap, Cleaning Compound, and Toilet Preparation Manufacturing, All Other Chemical Product and Preparation Manufacturing, .alpha.-cyclohexylidene-: ACTIVE.

Technical Profile

What this product is

(S)-.alpha.,alpha.,4-trimethylcyclohex-3-ene-1-methylacetate is a carbon-based organic compound with CAS registry number 10461-98-0 and molecular formula C14H15N (molecular weight 197.27), belonging to the organic chemicals segment of chemical raw materials.

Identification

CAS number: 10461-98-0

Its molecular formula C14H15N comprises 14 C, 15 H, 1 N atoms.

Also known as: (S)-.alpha.,alpha.,4-trimethylcyclohex-3-ene-1-methylacetate · 牡丹腈

Category: organic chemicals

Frequently Asked Questions

What is the CAS number of (S)-.alpha.,alpha.,4-trimethylcyclohex-3-ene-1-methylacetate?

The CAS registry number of (S)-.alpha.,alpha.,4-trimethylcyclohex-3-ene-1-methylacetate is 10461-98-0.

What is the molecular formula and molecular weight of (S)-.alpha.,alpha.,4-trimethylcyclohex-3-ene-1-methylacetate?

Molecular formula C14H15N, molecular weight 197.27.

What other names is (S)-.alpha.,alpha.,4-trimethylcyclohex-3-ene-1-methylacetate known by?

It is also registered under: (S)-.alpha.,alpha.,4-trimethylcyclohex-3-ene-1-methylacetate, 牡丹腈.

What are the documented applications of (S)-.alpha.,alpha.,4-trimethylcyclohex-3-ene-1-methylacetate?

Recorded applications: Use Classification: Fragrance Ingredients, Industry Uses: Fragrance, Other, Consumer Uses: Fragrance, Household Products: Information on 23 consumer products that contain 2-cyclohexylidene-2-phenylacetonitrile in the following categories is provided:, • Auto Products, • Inside the Home, IFRA Fragrance Standards: alpha-Cyclohexylidene benzeneacetonitrile, alpha-Cyclohexylidene benzeneacetonitrile, α-Cyclohexylidene benzeneacetonitrile, .delta.1, .alpha.-Cyclohexaneacetonitrile, .alpha.-phenyl-, .δ.1, .α.-Cyclohexaneacetonitrile, .α.-phenyl-, 2-Cyclohexylidene-2-phenylacetonitrile, Benzeneacetonitrile, alpha-cyclohexylidene-, α-cyclohexylidene-, Peonile (commercial name), Rosinile (commercial name), Sensinile (commercial name), IFRA_STD_241.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 (%): 0.052 [Products applied to the lips], 0.027 [Products applied to the axillae], 0.47 [Products applied to the face, body using fingertips], 0.52 [Products related to fine fragrances], 0.13 [Products applied to the body using the hands (palms), primarily leave-on (Body lotion)], 0.13 [Products applied to the face using the hands (palms), primarily leave-on (Face moisturizer)], 0.13 [Products applied to the hands using the hands (palms), primarily leave-on (Hand cream)], 0.043 [Products applied to babies using the hands (palms), primarily leave-on (Baby cream, oil, talc)], 0.052 [Products with oral and lip exposure], 0.94 [Rinse-off products applied to the hair with some hand contact], 0.94 [Leave-on products applied to the hair with some hand contact], 0.043 [Products with significant anogenital exposure (tampon)], 1.0 [Products with body and hand exposure, primarily rinse off], 2.9 [Household care products with mostly hand contact (excluding aerosol, spray products)], 3.6 [Household care products with mostly hand contact (household aerosol, 0.043 [Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure], 0.043 [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], U.S. Production: 2023: 10, 000, 000 - <25, 000 lb, 2022: 10, 2021: 10, 2020: 10, General Manufacturing Information: Soap, Cleaning Compound, and Toilet Preparation Manufacturing, All Other Chemical Product and Preparation Manufacturing, .alpha.-cyclohexylidene-: ACTIVE.

Which category does (S)-.alpha.,alpha.,4-trimethylcyclohex-3-ene-1-methylacetate belong to?

Category: Organic Chemicals.

PubChem Public Data

Independent reference data for (S)-.alpha.,alpha.,4-trimethylcyclohex-3-ene-1-methylacetate (CAS 10461-98-0), compiled from public chemistry databases.

Registry identifiers across databases

CAS 号10461-98-0
PubChem CID66327
分子式C14H15N
IUPAC 名称2-cyclohexylidene-2-phenylacetonitrile
UNII(FDA)NS00004146

Computed descriptors

Molecular Weight197.27
XLogP33.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass197.120449483
Monoisotopic Mass197.120449483
Topological Polar Surface Area23.8
Heavy Atom Count15

Synonyms and trade names

alpha-cyclohexylidene benzeneacetonitrile; RefChem:555479; 2-cyclohexylidene-2-phenylacetonitrile; 10461-98-0; Benzeneacetonitrile, a-cyclohexylidene-; cyclohexylidene(phenyl)acetonitrile; (S)-.alpha.,alpha.,4-trimethylcyclohex-3-ene-1-methylacetate; Cyclohexylidenephenylacetonitrile; peony acetonitrile; NSC408284; 2-cyclohexylidene-2-phenyl-acetonitrile; 2-cyclohexylidene-2-phenylethanenitrile; AI3-04983; Benzeneacetonitrile, alpha-cyclohexylidene-; Benzeneacetonitrile, .alpha.-cyclohexylidene-; EC 423-740-1

GHS hazard classification

已通报的危害声明H302, H411, H400, H410, H332, H336, H360, H373

What the public record says

牡丹腈 · CAS 10461-98-0 · C14H15N. UNII NS00004146.

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

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