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cumin carbinol

Cumin carbinol is a fragrance compound known for its floral and green odor profile often used in perfuming agents.
Chemical Structure

General Material Description

Cumin carbinol, chemically known as 2-methyl-1-(4-methylphenyl)propan-2-ol, is a floral-scented aromatic alcohol with molecular formula C11H16O and a molecular weight of approximately 164.25 g/mol. It exhibits an alcohol functional group connected to a substituted benzene ring, reflected by its multiple synonyms including p-methyldimethylbenzylcarbinol and α,α,4-trimethylbenzeneethanol. The compound presents as a colorless liquid with floral, green, cumin, and muguet odor notes, which contribute to its application in fragrance compositions. It is sourced primarily via synthetic chemical routes rather than from natural extraction. Additional details and structural information can be accessed through authoritative databases such as PubChem.

Occurrence, Applicability & Potential Uses

Cumin carbinol is predominantly used as a fragrance agent in perfuming applications where its floral and green odor qualities enhance scent profiles. It does not occur naturally in significant quantities but is synthetically prepared for use in the flavor and fragrance industry. Applications focus on its incorporation in cosmetics and personal care products as a perfuming agent, compliant with IFRA (International Fragrance Association) standards (Global), which recommend usage levels up to 10% in fragrance concentrates. Despite its scent-related functionalities, cumin carbinol is not approved for flavor use. The compound's biological occurrence is minimal, making industrial synthesis the main supply route for product formulation.

Physico-Chemical Properties Summary

Cumin carbinol is characterized by a boiling point range of 240 to 241°C at atmospheric pressure, indicating moderate volatility suitable for fragrance applications requiring slow evaporation. Its specific gravity ranges between 0.954 and 0.963 at 20–25°C, which informs density considerations during formulation. The refractive index values, spanning 1.51 to 1.516 at 20°C, assist in purity assessment. The compound exhibits slight solubility in water, with an estimated solubility of 597.8 mg/L at 25°C, but better solubility in alcohol solvents, reflecting its polarity profile. The logP value around 2.8 (estimated) indicates moderate lipophilicity, influencing its interaction with carrier oils and the skin. Its flash point is approximately 212°F (100°C), confirming a relatively low flammability risk under standard conditions. These properties collectively support its use in fragrance formulations requiring balance between volatility and stability.

FAQ

What is cumin carbinol and what are its main synonyms?
Cumin carbinol is an aromatic alcohol utilized primarily for its fragrance characteristics, notably a floral and green scent profile. Chemically, it is identified as 2-methyl-1-(4-methylphenyl)propan-2-ol, with the molecular formula C11H16O. It has numerous synonyms including p-methyldimethylbenzylcarbinol and α,α,4-trimethylbenzeneethanol, reflecting alternative chemical naming conventions and trivial identifiers. This compound is a colorless liquid that delivers floral, cumin, and muguet odor notes, making it relevant in perfumery contexts.
How and where is cumin carbinol used, and what are its physicochemical characteristics?
Cumin carbinol is primarily applied as a fragrance ingredient in perfuming agents due to its distinctive floral and green odor. It is synthesized chemically rather than extracted from natural sources and incorporated into cosmetic products in controlled concentrations as per industry recommendations. Its physicochemical attributes include a boiling point near 241°C, a specific gravity close to 0.96 at room temperature, moderate solubility in alcohols, and limited water solubility. The estimated logP of about 2.8 indicates moderate lipophilicity, affecting its formulation behavior and interaction with various solvents and carriers.
What regulatory guidelines affect the use of cumin carbinol and how is safety information addressed?
Regulatory frameworks such as IFRA (International Fragrance Association, Global) govern the permissible concentrations of cumin carbinol in fragrance formulations, recommending usage levels up to 10% in concentrates. Safety data compiled from sources including SDS documents and the U.S. Occupational Safety and Health Administration (OSHA) classify this compound without notable hazard statements, indicating no significant classified risks under standard handling. Oral, dermal, and inhalation toxicities have not been fully determined, and precautionary measures align with typical practices for fragrance chemicals. It is not approved for flavor use, and formulators must consult the relevant safety and regulatory documentation before application.

US / EU / FDA / JECFA / FEMA / Scholar / Patents

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Other Information

(IUPAC):Atomic Weights of the Elements 2011 (pdf)
Videos:The Periodic Table of Videos
tgsc:Atomic Weights use for this web site
(IUPAC):Periodic Table of the Elements
HMDB (The Human Metabolome Database):Search
Export Tariff Code:2906.29.6000
ChemSpider:View

General Material Information

Preferred name cumin carbinol
Trivial Name α,α,4-Trimethylbenzeneethanol
Short Description p-methyldimethylbenzylcarbinol
Formula C11 H16 O
CAS Number 20834-59-7
ECHA Number 244-072-3
FDA UNII Search
Nikkaji Number J60.249C
xLogP3-AA 2.50 (est)
NMR Predictor External link
Synonyms
  • benzeneethanol, a,a,4-trimethyl-
  • p- methyl benzyl dimethyl carbinol
  • para- methyl benzyl dimethyl carbinol
  • p- methyl dimethyl benzyl carbinol
  • para- methyl dimethyl benzyl carbinol
  • 2-methyl-1-(4-methylphenyl)propan-2-ol
  • 2-methyl-1-(p-tolyl)-2-propanol
  • p- methylbenzyl dimethyl carbinol
  • para- methylbenzyl dimethyl carbinol
  • p- methyldimethylbenzylcarbinol
  • phenethyl alcohol, p,a,a-trimethyl-
  • alpha,alpha-4-trimethyl benzene ethanol
  • alpha,alpha,4-trimethyl phenethyl alcohol
  • alpha,alpha,4-trimethyl phenyl ethyl alcohol
  • 2-methyl-1-(4-methylphenyl)propan-2-ol
  • Benzeneethanol, α,α,4-trimethyl-
  • Phenethyl alcohol, p,α,α-trimethyl-
  • α,α,4-Trimethylbenzeneethanol
  • 1,1-Dimethyl-2-(4-methylphenyl)ethanol
  • 2-Methyl-1-p-tolylpropan-2-ol
  • 2-p-Methylbenzyl-2-propanol

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 164.24772644043
Specific gravity @ 25 °C
Pounds per Gallon 7.938 to 8.005
Specific gravity @ 20 °C
Pounds per Gallon 7.956 to 8.022
Refractive Index 1.51 to 1.516 @ 20 °C
Boiling Point 240 to 241°C @ 760 mm Hg
Vapor Pressure 0.02 mmHg @ 25 °C
Flash Point TCC Value 100 °C TCC
logP (o/w) 2.796 est
Solubility
alcohol Yes
water, 597.8 mg/L @ 25 °C (est) Yes
water No

Organoleptic Properties

Odor Type: Floral
floral, green, cumin, muguet
Luebke, William tgsc, (1989) At 100.00 %. floral green cumin muguet

Potential Uses

Applications
Odor purposes Floral , Green , Hyacinth , Lily of the valley
Cosmetic purposes Perfuming agents

Safety Information

Safety information

Preferred SDS: View
Hazards identification
Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
None found.
GHS Label elements, including precautionary statements
Pictogram
Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined

Safety in use information

Category:
fragrance agents
RIFM Fragrance Material Safety Assessment: Search
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
Recommendation for cumin carbinol usage levels up to:
10.0000 % in the fragrance concentrate.
Recommendation for cumin carbinol flavor usage levels up to:
not for flavor use.

Safety references

EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):20834-59-7
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :88710
National Institute of Allergy and Infectious Diseases:Data
2-methyl-1-(4-methylphenyl)propan-2-ol
Chemidplus:0020834597