Articles:
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D-dihydrogeraniol
Notes:
Constit. of black cumin (Nigella sativa) seeds. A common constit. of plant oils, esp. in the Rutaceae
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Penta International Corporation Chemistry innovation At Penta, our products and services help businesses do business better. For over 30 years, Penta Manufacturing Company has played a growing role in worldwide chemistry innovations and applications. As an industry leader, Penta continues to pioneer chemistry-based solutions for practically every area of commerce. Our products and expertise have helped fuel technical advances in dozens of commercial applications including flavoring, coloring, fragrances and chemical processes. US Email: Technical Services US Email: Sales US Voice: (973) 740-2300 US Fax: (973) 740-1839 Product(s): 03-33560 R-(+)-B-CITRONELLOL
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| CAS Number: | 1117-61-9 |  3D/inchi
|
| ECHA EINECS - REACH Pre-Reg: | 214-250-5 | |
| FDA UNII: | P01OUT964K | |
| Nikkaji Web: | J67.959C | |
| Beilstein Number: | 1721506 | |
| MDL: | MFCD00063215 | |
| XlogP3-AA: | 3.20 (est) | |
| Molecular Weight: | 156.26860000 | |
| Formula: | C10 H20 O | |
| NMR Predictor: | Predict (works with chrome or firefox) | |
Category: flavor 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: | colorless to pale yellow clear liquid (est) |
| Assay: | 98.00 to 100.00 % |
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 0.85700 @ 25.00 °C. |
| Refractive Index: | 1.45600 @ 20.00 °C. |
| Boiling Point: | 221.00 to 224.00 °C. @ 760.00 mm Hg |
| Boiling Point: | 112.00 to 113.00 °C. @ 12.00 mm Hg |
| Vapor Pressure: | 0.018000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 213.00 °F. TCC ( 100.56 °C. ) |
| logP (o/w): | 3.239 (est) |
| Soluble in: | |
| alcohol | |
| water, 105.5 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
Organoleptic Properties:
| Odor Type: floral | |
| citronella rose leafy oily petal | |
| Odor Description: at 100.00 %. | citronella oil rose leaf oily petal |
| Odor and/or flavor descriptions from others (if found). | |
Cosmetic Information:
| CosIng: | cosmetic data |
| Cosmetic Uses: |
fragrance |
Suppliers:
| ExtraSynthese |
| For experimental / research use only. |
| (+)-Citronellol (GC) ≥98% |
| Penta International |
| R-(+)-B-CITRONELLOL |
| Santa Cruz Biotechnology |
| For experimental / research use only. |
| (R)-(+)-b-Citronellol |
| Sigma-Aldrich: Aldrich |
| For experimental / research use only. |
| (R)-(+)-beta-Citronellol 98% |
Safety Information:
| Preferred SDS: View | |
| European information : | |
| Most important hazard(s): | |
| Xi N - Irritant, Dangerous for the environment. | |
|
R 36/38 - Irritating to skin and eyes. R 43 - May cause sensitisation by skin contact. 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 24/25 - Avoid contact with skin and eyes. S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 37/39 - Wear suitable gloves and eye/face protection. 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. | |
| Oral/Parenteral Toxicity: | |
| Not determined | |
| Dermal Toxicity: | |
| Not determined | |
| Inhalation Toxicity: | |
| Not determined | |
Safety in Use Information:
| Category: | flavor and fragrance agents | ||
| RIFM Fragrance Material Safety Assessment: Search | |||
| IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice | |||
| IFRA Critical Effect: | Dermal sensitization | ||
| IFRA: | View Standard | ||
| View IFRA Standards Library for complete information. | |||
| Please review Amendment 49 IFRA documentation for complete information. | |||
| IFRA RESTRICTION LIMITS IN THE FINISHED PRODUCT (%): | |||
| Category 1: Products applied to the lips | |||
| 2.20 % | |||
| Category 2: Products applied to the axillae | |||
| 0.67 % | |||
| Category 3: Products applied to the face/body using fingertips | |||
| 13.00 % | |||
| Category 4: Products related to fine fragrance | |||
| 12.00 % | |||
| Category 5: Products applied to the face and body using the hands (palms), primarily leave-on | |||
| Category 5A: Body lotion products applied to the body using the hands (palms), primarily leave-on | |||
| 3.20 % | |||
| Category 5B: Face moisturizer products applied to the face using the hands (palms), primarily leave-on | |||
| 3.20 % | |||
| Category 5C: Hand cream products applied to the hands using the hands (palms), primarily leave-on | |||
| 3.20 % | |||
| Category 5D: Baby Creams, baby Oils and baby talc | |||
| 3.20 % | |||
| Category 6: Products with oral and lip exposure | |||
| 7.30 % | |||
| Category 7: Products applied to the hair with some hand contact | |||
| Category 7A: Rinse-off products applied to the hair with some hand contact | |||
| 25.00 % | |||
| Category 7B: Leave-on products applied to the hair with some hand contact | |||
| 25.00 % | |||
| Category 8: Products with significant anogenital exposure | |||
| 1.30 % | |||
| Category 9: Products with body and hand exposure, primarily rinse off | |||
| 24.00 % | |||
| Category 10: Household care products with mostly hand contact | |||
| Category 10A: Household care excluding aerosol products (excluding aerosol/spray products) | |||
| 87.00 % | |||
| Category 10B: Household aerosol/spray products | |||
| 87.00 % | |||
| Category 11: Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate | |||
| Category 11A: Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure | |||
| 48.00 % | |||
| Category 11B: Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure | |||
| 48.00 % | |||
| Category 12: Products not intended for direct skin contact, minimal or insignificant transfer to skin | |||
| No Restriction | |||
| Notes: | |||
| IFRA FLAVOR REQUIREMENTS: | |||
Due to the possible ingestion of small amounts of fragrance ingredients from their use in products in Categories 1 and 6, materials must not only comply with IFRA Standards but must also be recognized as safe as a flavoring ingredient as defined by the IOFI Code of Practice (www.iofi.org). For more details see chapter 1 of the Guidance for the use of IFRA Standards. | |||
| use level in formulae for use in cosmetics: | |||
| 0.0200 % | |||
| Dermal Systemic Exposure in Cosmetic Products: | |||
| 0.0005 mg/kg/day | |||
Safety References:
| EPI System: | View |
| AIDS Citations: | Search |
| Cancer Citations: | Search |
| Toxicology Citations: | Search |
| EPA Substance Registry Services (TSCA): | 1117-61-9 |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 101977 |
| National Institute of Allergy and Infectious Diseases: | Data |
| SCCNFP: | opinion |
| WGK Germany: | 1 |
| (3R)-3,7-dimethyloct-6-en-1-ol | |
| Chemidplus: | 0001117619 |
| RTECS: | RH3400000 for cas# 1117-61-9 |
References:
| Leffingwell: | Chirality or Article |
| (3R)-3,7-dimethyloct-6-en-1-ol | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 1117-61-9 |
| Pubchem (cid): | 101977 |
| Pubchem (sid): | 135058385 |
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 |
| CHEBI: | View |
| CHEMBL: | View |
| KEGG (GenomeNet): | C09849 |
| HMDB (The Human Metabolome Database): | HMDB35093 |
| Export Tariff Code: | 2905.22.5010 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| Wikipedia: | View |
Potential Blenders and core components note
Potential Uses:
| floral | FR | |
| geranium | FR | |
| lilac | FR | |
| lily | FR | |
| rose | FR |
Occurrence (nature, food, other): note
| cumin black cumin Search Trop Picture |
Synonyms:
| (R)-(+)- | citronellol |
| (R)-(+)-beta- | citronellol |
| R-(+)-b- | citronellol |
| D- | dihydrogeraniol |
| dextro- | dihydrogeraniol |
| (R)-3,7- | dimethyl oct-6-en-1-ol |
| (3R)-3,7- | dimethyl-6-octen-1-ol |
| (R)-3,7- | dimethyl-6-octen-1-ol |
| (3R)-3,7- | dimethyloct-6-en-1-ol |
| (R)-3,7- | dimethyloct-6-en-1-ol |
| 6- | octen-1-ol, 3,7-dimethyl-, (3R)- |
| 6- | octen-1-ol, 3,7-dimethyl-, (R)- |