| Fragrance Demo Formulas |
| Name: | (3aalpha,4beta,7beta,7aalpha)-octahydro-4,7-methano-3aH-indene-3a-carboxylic acid ethyl ester |
| CAS Number: | 80623-07-0 |  3D/inchi
|
| FDA UNII: | Search |
| XlogP3-AA: | 3.40 (est) |
| Molecular Weight: | 208.30080000 |
| Formula: | C13 H20 O2 |
| NMR Predictor: | Predict (works with chrome, Edge or firefox) |
| Name: | (3aalpha,4alpha,7alpha,7aalpha)-octahydro-4,7-methano-3aH-indene-3a-carboxylic acid ethyl ester |
| CAS Number: | 80657-64-3 |  3D/inchi
|
| ECHA ELINCS - REACH Pre-Reg: | 407-520-0 |
| FDA UNII: | Search |
| XlogP3-AA: | 3.40 (est) |
| Molecular Weight: | 208.30080000 |
| Formula: | C13 H20 O2 |
| 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: | 98.00 to 100.00 sum of isomers
|
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 1.03400 to 1.05100 @ 20.00 °C.
|
| Pounds per Gallon - (est).: | 8.614 to 8.756
|
| Refractive Index: | 1.48200 to 1.48800 @ 20.00 °C.
|
| Boiling Point: | 254.00 to 261.00 °C. @ 760.00 mm Hg
|
| Vapor Pressure: | 0.011000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 218.00 °F. TCC ( 103.33 °C. )
|
| logP (o/w): | 3.699 (est) |
| Soluble in: |
| | alcohol | | | water, 34.14 mg/L @ 25 °C (est) |
| Insoluble in: |
| | water |
| Stability: |
| | ph from 1.5 - 11 |
Organoleptic Properties:
| Odor Type: fruity |
| Odor Strength:medium |
| Substantivity:144 hour(s) at 100.00 % |
| sweet fruity rummy candy floral ripe |
Odor Description:at 100.00 %. sweet fruity rum candy floral ripe
Luebke, William tgsc, (1991) |
| Odor sample from: Kao Corporation |
| Odor and/or flavor descriptions from others (if found). |
Cosmetic Information:
Suppliers:
| Associate Allied Chemicals |
| Fruitate
|
| About |
| BOC Sciences |
| For experimental / research use only. |
| 4,7-Methano-3aH-indene-3a-carboxylicacid, octahydro-, ethyl ester, (3aR,4R,7S,7aR)-rel-
|
| Bontoux |
| FRUITATE
|
| Diffusions Aromatiques |
| FRUITATE
|
| Ernesto Ventós |
| FRUITATE
Odor: FRUITY, CITRUSY AND WOODY |
| Indukern F&F |
| FRUITATE
Odor: FRUITY, CITRUS, WOODY |
| Kao Corporation |
| FRUITATE
Odor: A floral fruity note having a citrus nuance; diffusive and powerful blending agent gives fruity tone |
| Lluch Essence |
| FRUITATE
|
| Moellhausen |
| FRUITATE
|
| Penta International |
| FRUITATE
|
| Stort Chemicals |
| Fruitate
|
| The John D. Walsh Company |
| Fruitate
|
| The Lermond Company |
| FRUITATE
|
Safety Information:
| European information : |
| Most important hazard(s): | | Xi - Irritant |
R 36/37/38 - Irritating to eyes, respiratory system, and skin.
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: |
oral-rat LD50 > 5000 mg/kg
Kao Corporation
|
| Dermal Toxicity: |
skin-rabbit LD50 > 2000 mg/kg
Kao Corporation
|
| Inhalation Toxicity: |
|
Not determined
|
Safety in Use Information:
Safety References:
| EPI System: View |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :157342 |
| National Institute of Allergy and Infectious Diseases:Data |
| WGK Germany:2 |
| (3aalpha,4beta,7beta,7aalpha)-octahydro-4,7-methano-3aH-indene-3a-carboxylic acid ethyl ester |
| Chemidplus:0080623070 |
| (3aalpha,4alpha,7alpha,7aalpha)-octahydro-4,7-methano-3aH-indene-3a-carboxylic acid ethyl ester |
| Chemidplus:080657643 |
References:
| | (3aalpha,4beta,7beta,7aalpha)-octahydro-4,7-methano-3aH-indene-3a-carboxylic acid ethyl ester |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 80623-07-0 |
| Pubchem (cid): | 157342 |
| Pubchem (sid): | 135114603 |
| | (3aalpha,4alpha,7alpha,7aalpha)-octahydro-4,7-methano-3aH-indene-3a-carboxylic acid ethyl ester |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 80657-64-3 |
| Pubchem (cid): | 157343 |
| Pubchem (sid): | 734759 |
Other Information:
Potential Blenders and core components note
Potential Uses:
Occurrence (nature, food, other): note
Synonyms:
| | ethyl (1R,2R,6R,7S)-tricyclo[5.2.1.02,6]decane-2-carboxylate | | | ethyl hexahydro-4,7-methanoindane-3alpha-carboxylate | | | ethyl-3aalpha,4alpha,7alpha,7aalpha-octahydro-4,7-methanoindene-3a-carboxylate | | | ethyl-3aalpha,4beta,7beta,7aalpha-octahydro-4,7-methanoindene-3a-carboxylate | | | fruitate | | | fruity carboxylate | | 4,7- | methano-3aH-indene-3a-carboxylic acid, octahydro-, ethyl ester, (3aa,4β,7β,7aa)- | | 4,7- | methano-3aH-indene-3a-carboxylic acid, octahydro-, ethyl ester, (3aalpha,4beta,7beta,7aalpha)- | | (3aalpha,4alpha, 7alpha,7aalpha)- | octahydro-4,7-methano-3ah-indene-3a-carboxylic acid ethyl ester | | (3aalpha,4beta,7beta,7aalpha)- | octahydro-4,7-methano-3aH-indene-3a-carboxylic acid ethyl ester |
Articles:
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