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cedar cyclododecatriene

Cedar cyclododecatriene is a fragrance compound known for its warm, woody cedar and amber odor characteristics used primarily in perfuming agents.

General Material Description

Cedar cyclododecatriene, also known by its trivial name 2,6,9-trimethyl-2,5,9-cyclododecatrien-1-ol and the trade name boisanol, is a fragrance compound characterized by a warm, woody cedar note with amber and vetiver nuances. It appears as a clear to slightly yellow liquid and belongs to the class of terpenoid-derived alcohols with a complex cyclic structure. This compound's sensory properties render it valuable in creating woody and oriental fragrance profiles. Synonyms include trimethyl cyclododecadienol and isomers related to its principal structure. It can be referenced in controlled-vocabulary chemical databases such as PubChem. Cedar cyclododecatriene is typically sourced through synthetic organic processes involving cyclododecatriene derivatives, and it has found particular use in perfuming agents.

Occurrence, Applicability & Potential Uses

Cedar cyclododecatriene naturally does not occur in significant quantities in biological systems but is synthetically produced for fragrance applications. It is primarily employed as a woody and amber odorant in perfuming agents, contributing warm and resinous facets to compositions. Its inclusion in oriental and musk fragrance accords is common. The compound's use is regulated under IFRA (Global) standards, ensuring safety limits in fragrance concentrates. Although it is not approved for flavor use, its role in aromatic formulations is well established due to its distinctive sensory qualities.

Physico-Chemical Properties Summary

The compound possesses a relatively high flash point of 212 °F (approximately 100 °C), indicating moderate flammability hazards under typical handling conditions. Its specific gravity ranges narrowly between 0.987 and 0.994 at 25 °C, which is close to that of water, suggesting a dense liquid form. The refractive index values from 1.523 to 1.529 at 20 °C support its identity as an organic oil-like substance. Cedar cyclododecatriene demonstrates good solubility in alcohol solvents but is insoluble in water, consistent with its non-polar, hydrophobic structure. The measured logP value of 4 reflects significant lipophilicity, important for optimizing its behavior in fragrance formulations where volatility and skin absorption modulation are critical factors.

FAQ

What is cedar cyclododecatriene and what are its main characteristics?
Cedar cyclododecatriene, also known by the synonym boisanol, is a fragrance compound with a warm, woody cedar odor complemented by amber and vetiver notes. It is chemically identified as 2,6,9-trimethyl-2,5,9-cyclododecatrien-1-ol including its isomers. It generally appears as a clear to slightly yellow liquid and is valued for providing woody and oriental scents in perfumery. Key identifiers include CAS numbers 111850-00-1 and 125303-98-2. This compound is widely used as a fragrance agent but is not approved for flavor applications.
How is cedar cyclododecatriene used and where is it commonly found?
The compound is synthetically produced and mainly applied in perfuming formulations to impart woody, amber, balsamic, and musk-like notes. Its use enhances fragrances such as oriental and cedar accords. Cedar cyclododecatriene is soluble in alcohol, facilitating its blending in various fragrance bases, while its insolubility in water and high lipophilicity influence its volatility and stability in compositions. It is incorporated at recommended usage levels up to 8% in fragrance concentrates as per IFRA (Global) standards. It is not intended for flavor or food additive use.
What safety considerations and regulations apply to cedar cyclododecatriene?
Cedar cyclododecatriene is classified as an irritant with hazard statements indicating it may irritate skin and eyes and is toxic to aquatic life with long-term effects. The compound's flash point suggests caution during storage and handling to avoid fire hazards. Regulatory frameworks such as IFRA (Global) provide guidance on maximum usage concentrations in fragrances, recommending up to 8% in fragrance concentrates. It is not authorized for flavor usage. Safety data indicate no significant acute toxicity at common exposure levels, but environmental precautions are advised to mitigate aquatic hazards.

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

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Other Information

HMDB (The Human Metabolome Database):Search
Export Tariff Code:2906.19.5000

General Material Information

Preferred name cedar cyclododecatriene
Trivial Name 2,6,9-trimethyl-2,5,9-cyclododecatrien-1-ol (plus isomer)
Short Description boisanol
Formula unspecified
CAS Number 111850-00-1
CAS Number 125303-98-2
ECHA Number 413-530-6
FDA UNII Search
Synonyms
  • boisanol
  • ethane peroxoic acid/aluminum isoproxide/trimethyl cyclododecatriene
  • trimethyl cyclododecadienol and isomers
  • 2,6,9-trimethyl-2,5,9-cyclododecatrien-1-ol (plus isomer)

PhysChem Properties

Material listed in food chemical codex No
Specific gravity @ 25 °C
Pounds per Gallon 8.213 to 8.271
Refractive Index 1.523 to 1.529 @ 20 °C
Flash Point TCC Value 100 °C TCC
logP (o/w) 4
Solubility
alcohol Yes
water No

Organoleptic Properties

Odor Type: Woody
warm, woody, cedar, amber, vetiver
General comment At 100.00 %. warm woody cedar amber vetiver

Potential Uses

Applications
Odor purposes Amber , Ambergris , Balsam , Cedar , Musk , Oriental , Woody
Cosmetic purposes Perfuming agents

Safety Information

Safety information

European information :
Most important hazard(s):
Xi - Irritant
R 36/38 - Irritating to skin and eyes.
R 51/53 - Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment.
S 02 - Keep out of the reach of children.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 36 - Wear suitable protective clothing.
S 61 - Avoid release to the environment. Refer to special instructions/safety data sheet.
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.
Human Experience:
10 % solution: no skin irritation.
Oral/Parenteral Toxicity:
oral-rat LD50 > 2000 mg/kg

Dermal Toxicity:
skin-rabbit LD50 > 2000 mg/kg

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 cedar cyclododecatriene usage levels up to:
8.0000 % in the fragrance concentrate.
Recommendation for cedar cyclododecatriene flavor usage levels up to:
not for flavor use.

Safety references

AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):111850-00-1
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
National Institute of Allergy and Infectious Diseases:Data
WISER:UN 3082
WGK Germany:3
2,6,9-trimethyl-2,5,9-cyclododecatrien-1-ol (plus isomer)
Chemidplus:0111850001
1,5,8-trimethyl-13-oxabicyclo(10.1.0)trideca-4,8-diene
Chemidplus:0125303982