Articles:
Notes:
a degraded triterpene; ambrein, cholesterol and benzoic acid are major components of ambergris; from intestinal secretion of sperm blue whale (pyseter carodon).
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Ernesto Ventós S.A. Leaders in essence We employ our five senses to do our job well. Ventos has specialized in the distribution of raw materials for the flavour and fragrance industry. With more than 1700 references permanently available from stock, we offer a just-in-time response to our customer needs, being able to deliver from 1kg to several tonnes all over the world. Email: Information US Email: Information USA Email: Gemma Parramon (Europe) US Email: Gemma Parramon (Europe) Email: Jorge Sos (Asia) Email: Ramon Rubau (America) Voice: +34 934706210 Fax: +34 934733010 US Voice: +1 856 226 7501 Instagram Linkedin Youtube Press Ads Videos Product(s): AMBREINE FIRMENICH 039658
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| CAS Number: | 473-03-0 |  3D/inchi
|
| ECHA EINECS - REACH Pre-Reg: | 207-460-3 | |
| FDA UNII: | 1N9JB373FJ | |
| Beilstein Number: | 3655411 | |
| XlogP3-AA: | 9.60 (est) | |
| Molecular Weight: | 428.74364000 | |
| Formula: | C30 H52 O | |
| NMR Predictor: | Predict (works with chrome, Edge or firefox) | |
Category: cosmetic and fragrance agents
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
| Google Scholar: | Search |
| Google Books: | Search |
| Google Scholar: with word "volatile" | Search |
| Google Scholar: with word "flavor" | Search |
| Google Scholar: with word "odor" | Search |
| Perfumer and Flavorist: | Search |
| Google Patents: | Search |
| US Patents: | Search |
| EU Patents: | Search |
| Pubchem Patents: | Search |
| PubMed: | Search |
| NCBI: | Search |
Physical Properties:
| Appearance: | brown solid (est) |
| Assay: | 96.00 to 100.00 % |
| Food Chemicals Codex Listed: | No |
| Boiling Point: | 495.00 to 496.00 °C. @ 760.00 mm Hg |
| Flash Point: | 431.00 °F. TCC ( 221.67 °C. ) |
| logP (o/w): | 11.680 |
| Soluble in: | |
| alcohol | |
| water, 6.895e-007 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
Organoleptic Properties:
| Odor Type: amber | |
| Odor Strength: | medium |
| Substantivity: | 400 hour(s) at 100.00 % |
| ambergris labdanum amber woody | |
| Odor Description: at 100.00 %. | amber ambergris labdanum woody Luebke, William tgsc, (1988) |
| Odor and/or flavor descriptions from others (if found). | |
Cosmetic Information:
| CosIng: | cosmetic data |
| Cosmetic Uses: |
perfuming agents |
Suppliers:
| BOC Sciences |
| For experimental / research use only. |
| 1-(6-(2,2-Dimethyl-6-methylenecyclohexyl)-4-methylhex-3-enyl)decahydro-2,5,5,8a-tetramethyl-2-naphthol |
| Ernesto Ventós |
| AMBREINE FIRMENICH 039658
Odor: AMBER NOTE |
Safety Information:
| European information : | |
| Most important hazard(s): | |
| Xi - Irritant | |
|
R 36/37/38 - Irritating to eyes, respiratory system, and skin. 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. | |
| 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: | |
|
intraperitoneal-mouse LD50 7500 mg/kg BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) Japanese Journal of Pharmacology. Vol. 60, Pg. 67, 1992. | |
| Dermal Toxicity: | |
| Not determined | |
| Inhalation Toxicity: | |
| Not determined | |
Safety in Use Information:
| Category: | cosmetic and 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 ambrein 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): | 473-03-0 |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 6433191 |
| National Institute of Allergy and Infectious Diseases: | Data |
| (2R,8aS)-1-[(E)-6-[(1S)-2,2-dimethyl-6-methylidenecyclohexyl]-4-methylhex-3-enyl]-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol | |
| Chemidplus: | 0000473030 |
References:
| (2R,8aS)-1-[(E)-6-[(1S)-2,2-dimethyl-6-methylidenecyclohexyl]-4-methylhex-3-enyl]-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 473-03-0 |
| Pubchem (cid): | 6433191 |
| Pubchem (sid): | 134975669 |
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 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| Wikipedia: | View |
Potential Blenders and core components note
Potential Uses:
| abronia | FR | |
| acacia | FR | |
| aldehydic | FR | |
| amber | FR | |
| ambergris | FR | |
| animal | FR | |
| balsam | FR | |
| chypre | FR | |
| fern | FR | |
| fixer | ||
| juniper | FR | |
| lavender | FR | |
| leather | FR | |
| narcissus | FR | |
| sandalwood | FR | |
| tobacco | FR | |
| verbena | FR | |
| violet | FR | |
| woody | FR |
Occurrence (nature, food, other): note
| ambergris Search PMC Picture |
Synonyms:
| (E)- | ambra-13,18(28)-dien-8-ol |
| trans- | ambra-13,18(28)-dien-8-ol |
| ambra-13,18(28)-dien-8-ol | |
| (1R,2R,4aS,8aS)- 1-((3E)-6-((1S)-2,2- | dimethyl-6-methylene cyclohexyl)-4-methyl-3-hexenyl)-4-methyl-3-hexenyl)decahydro-2,5,5,8a-tetramethyl-2-naphthalenol |
| 1-(6-(2,2- | dimethyl-6-methylenecyclohexyl)-4-methylhex-3-enyl)decahydro-2,5,5,8a-tetramethyl-2-naphthol |
| (2R,8aS)-1-[(E)-6-[(1S)-2,2- | dimethyl-6-methylidenecyclohexyl]-4-methylhex-3-enyl]-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol |
| 2- | naphthalenol, 1-((3E)-6-((1S)-2,2-dimethyl-6-methylenecyclohexyl)-4-methyl-3-hexenyl)decahydro-2,5,5,8a-tetramethyl-, (1R,2R,4aS,8aS)- |
| 2- | naphthalenol, 1-(6-(2,2-dimethyl-6-methylenecyclohexyl)-4-methyl-3-hexenyl)decahydro-2,5,5,8a-tetramethyl-, (1g-(1a(E(S)),2b,4ab,8aa))- |
| 2- | naphthalenol, decahydro-1-(6-(2,2-dimethyl-6-methylenecyclohexyl)-4-methyl-3-hexenyl)-2,5,5,8a-tetramethyl-, (1R-(1-a(E(S*)),2-b,4a-b,8a-a))- |