Preferred name | laevo-linalool |
Trivial Name | (-)-Linalool |
Short Description | L-linalool |
Formula | C10 H18 O |
CAS Number | 126-91-0 |
ECHA Number | 204-811-2 |
FDA UNII | 3U21E3V8I2 |
Nikkaji Number | J9.271A |
Beilstein Number | 1721487 |
MDL | MFCD00135469 |
xLogP3-AA | 2.70 (est) |
Bio Activity Summary | External link |
NMR Predictor | External link |
Synonyms |
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Perfumer & Flavorists | Start search |
EU Patents | Start search |
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NCBI | Start search |
Leffingwell: | Chirality or Article |
(3R)-3,7-dimethylocta-1,6-dien-3-ol | |
NIST Chemistry WebBook: | Search Inchi |
Canada Domestic Sub. List: | 126-91-0 |
Pubchem (cid): | 443158 |
Pubchem (sid): | 134973894 |
(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): | C11388 |
HMDB (The Human Metabolome Database): | HMDB36101 |
FooDB: | FDB014941 |
Export Tariff Code: | 2905.22.5050 |
Typical G.C. | |
VCF-Online: | VCF Volatile Compounds in Food |
ChemSpider: | View |
Material listed in food chemical codex | No |
Molecular weight | 154.2526550293 |
Specific gravity | @ 25 °C |
Pounds per Gallon | 7.156 to 7.214 |
Refractive Index | 1.46 to 1.465 @ 20 °C |
Optical Rotation | -15 to -19 |
Boiling Point | 197 to 199°C @ 760 mm Hg |
Vapor Pressure | 0.091 mmHg @ 25 °C |
Vapor Density | 5.3 |
Flash Point TCC Value | 71.11 °C TCC |
logP (o/w) | 3.281 est |
Shelf life | 24 months (or longer if stored properly.) |
Storage notes | Store in cool, dry place in tightly sealed containers, protected from heat and light. store under nitrogen. |
Solubility | |
alcohol | Yes |
dipropylene glycol | Yes |
fixed oils | Yes |
mineral oil | Yes |
propylene glycol | Yes |
water, 683.7 mg/L @ 25 °C (est) | Yes |
water | No |
Odor Type: Floral | |
fresh, floral, woody, natural, lavender | |
Odor strength | medium |
Substantivity | 16 hour(s) at 100.00 % |
Luebke, William tgsc, (1999) | At 100.00 %. fresh floral woody natural deep lavender |
Flavor Type: Citrus | |
citrus, bois de rose, orange, blueberry, floral, berry, tropical | |
Luebke, William tgsc, (1999) | Citrus bois de rose orange blueberry floral berry tropical |
(data available) |
Preferred SDS: View | |
European information : | |
Most important hazard(s): | |
Xi - Irritant | |
R 36/38 - Irritating to skin and eyes. R 43 - May cause sensitisation by skin contact. 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 36 - Wear suitable protective clothing. | |
Hazards identification | |
Classification of the substance or mixture | |
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS) | |
Flammable liquids (Category 4), H227 Skin irritation (Category 2), H315 Eye irritation (Category 2A), H319 Specific target organ toxicity - single exposure (Category 3), Respiratory system, H335 | |
GHS Label elements, including precautionary statements | |
Pictogram | ![]() |
Signal word | Warning |
Hazard statement(s) | |
H227 - Combustible liquid H315 - Causes skin irritation H319 - Causes serious eye irritation H335 - May cause respiratory irritation | |
Precautionary statement(s) | |
P210 - Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P261 - Avoid breathing dust/fume/gas/mist/vapours/spray. P264 - Wash skin thouroughly after handling. P271 - Use only outdoors or in a well-ventilated area. P280 - Wear protective gloves/protective clothing/eye protection/face protection. P302 + P352 - IF ON SKIN: wash with plenty of soap and water. P304 + P340 - IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing. P305 + P351 + P338 - IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. P312 - Call a POISON CENTER or doctor/physician if you feel unwell. P321 - Specific treatment (see supplemental first aid instructions on this label). P332 + P313 - IF SKIN irritation occurs: Get medical advice/attention. P337 + P313 - IF eye irritation persists: Get medical advice/attention. P362 - Take off contaminated clothing and wash before reuse. P370 + P378 - In case of fire: Use … for extinction. P403 + P233 - Store in a well-ventilated place. Keep container tightly closed. P403 + P235 - Store in a well-ventilated place. Keep cool. P405 - Store locked up. P501 - Dispose of contents/ container to an approved waste disposal plant. | |
Oral/Parenteral Toxicity: | |
intravenous-mouse LD50 180 mg/kg U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#01477 | |
Dermal Toxicity: | |
Not determined | |
Inhalation Toxicity: | |
Not determined |
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: | |||
Sensitization | |||
IFRA Other Specification: | |||
IFRA fragrance material specification: | |||
Linalool and natural products known to be rich in linalool, such as bois de rose, coriander or ho wood oil, should only be used when the level of peroxides is kept to the lowest practical level. It is recommended to add antioxidants at the time of production of the raw material. The addition of 0.1% BHT or alpha-tocopherol for example has shown great efficiency. The maximum peroxide level for products in use should be 20 mmol/l. | |||
maximum skin levels for fine fragrances: | |||
0.3100 % and are based on the assumption that the fragrance mixture is used at 20% in a consumer product (IFRA Use Level Survey).(IFRA, 2004) | |||
Recommendation for laevo-linalool usage levels up to: | |||
10.0000 % in the fragrance concentrate. | |||
use level in formulae for use in cosmetics: | |||
2.8600 % | |||
Dermal Systemic Exposure in Cosmetic Products: | |||
0.0720 mg/kg/day (IFRA, 2004) | |||
Recommendation for laevo-linalool flavor usage levels up to: | |||
40.0000 ppm in the finished product. |
EPI System: View |
AIDS Citations:Search |
Cancer Citations:Search |
Toxicology Citations:Search |
EPA Substance Registry Services (TSCA):126-91-0 |
EPA ACToR:Toxicology Data |
EPA Substance Registry Services (SRS):Registry |
Laboratory Chemical Safety Summary :443158 |
National Institute of Allergy and Infectious Diseases:Data |
SCCNFP:opinion |
WISER:UN 1993 |
WGK Germany:1 |
(3R)-3,7-dimethylocta-1,6-dien-3-ol |
Chemidplus:0000126910 |
RTECS:RG5775000 for cas# 126-91-0 |