| Name: | (4aS,6R,7S,8aR)-3,3,6,7-tetramethyl-2,4,4a,5,6,7,8,8a-octahydrochromene |
| CAS Number: | 72429-08-4 |  3D/inchi
|
| ECHA EINECS - REACH Pre-Reg: | 276-659-5 |
| FDA UNII: | Search |
| XlogP3-AA: | 3.80 (est) |
| Molecular Weight: | 196.33348000 |
| Formula: | C13 H24 O |
| NMR Predictor: | Predict (works with chrome, Edge or firefox) |
Category: fragrance agents
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Physical Properties:
| Appearance: | colorless clear liquid (est) |
| Assay: | 97.00 to 100.00 sum of isomers
|
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 0.93900 to 0.94200 @ 20.00 °C.
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| Pounds per Gallon - (est).: | 7.823 to 7.848
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| Refractive Index: | 1.48300 to 1.48600 @ 20.00 °C.
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| Boiling Point: | 200.00 °C. @ 760.00 mm Hg
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| Boiling Point: | 75.00 °C. @ 2.00 mm Hg
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| Acid Value: | 0.50 max. KOH/g
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| Vapor Pressure: | 4.800000 mmHg @ 20.00 °C. |
| Flash Point: | 212.00 °F. TCC ( 100.00 °C. )
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| logP (o/w): | 4.640 (est) |
| Soluble in: |
| | alcohol | | | water, 7.983 mg/L @ 25 °C (est) |
| Insoluble in: |
| | water |
Organoleptic Properties:
| Odor Type: floral |
Odor Strength:medium ,
recommend smelling in a 10.00 % solution or less |
| Substantivity:23 hour(s) at 100.00 % |
| petitgrain neroli grapefruit woody herbal cranberry |
Odor Description:at 10.00 % in dipropylene glycol. petitgrain neroli grapefruit woody herbal cranberry
Luebke, William tgsc, (1995) |
| Odor sample from: Bush Boake Allen Inc |
| Odor and/or flavor descriptions from others (if found). |
Cosmetic Information:
Suppliers:
Safety Information:
| European information : |
| Most important hazard(s): | | Xn - Harmful. |
R 22 - Harmful if swallowed.
R 36/38 - Irritating to skin and eyes.
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 36/37/39 - Wear suitable clothing, gloves and eye/face protection.
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| |
| 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
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| Inhalation Toxicity: |
|
Not determined
|
Safety in Use Information:
Safety References:
| EPI System: View |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA Substance Registry Services (TSCA):72429-08-4 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :3085817 |
| National Institute of Allergy and Infectious Diseases:Data |
| WGK Germany:2 |
| (4aS,6R,7S,8aR)-3,3,6,7-tetramethyl-2,4,4a,5,6,7,8,8a-octahydrochromene |
| Chemidplus:0072429084 |
References:
| | (4aS,6R,7S,8aR)-3,3,6,7-tetramethyl-2,4,4a,5,6,7,8,8a-octahydrochromene |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 72429-08-4 |
| Pubchem (cid): | 3085817 |
| Pubchem (sid): | 135233689 |
Other Information:
Potential Blenders and core components note
Potential Uses:
Occurrence (nature, food, other): note
Synonyms:
| 1H-2- | benzopyran-3,4,4alpha,5,8,8alpha-hexahydro-3,3,6,7-tetramethyl | | 1H-2- | benzopyran, 3,4,4a,5,8,8a(or 3,4,4a,7,8,8a)-hexahydro-3,3,6,7-tetramethyl- | | | bigarade oxide | | 3,4,4a,5,8,8a (or 3,4,4a,7,8,8a)- | hexahydro-3,3,6,7-tetramethyl-1H-2-benzopyran | | 3,4,4a,5,8,8a(or 3,4,4a,7,8,8a)- | hexahydro-3,3,6,7-tetramethyl-1H-2-benzopyran | | 3,4,4alpha,5,8,8alpha- | hexahydro-3,3,6,7-tetramethyl-1H-2-benzopyran | | | hexahydrotetramethyl benzopyran | | (4aS,6R,7S,8aR)-3,3,6,7- | tetramethyl-2,4,4a,5,6,7,8,8a-octahydrochromene |
Articles:
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