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3,7-dimethylocta-1,6-dien-3-yl formate | |
NIST Chemistry WebBook: | Search Inchi |
Canada Domestic Sub. List: | 115-99-1 |
Pubchem (cid): | 61040 |
Pubchem (sid): | 135018717 |
Flavornet: | 115-99-1 |
Publications by PubMed | |
Poisoning by lavandin extract in a 18-month-old boy. |
(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 |
FDA Substances Added to Food (formerly EAFUS): | View |
CHEMBL: | View |
HMDB (The Human Metabolome Database): | HMDB30424 |
FooDB: | FDB002288 |
Export Tariff Code: | 2915.13.0000 |
Typical G.C. | |
VCF-Online: | VCF Volatile Compounds in Food |
ChemSpider: | View |
Preferred name | linalyl formate |
Trivial Name | Linalool formate |
Short Description | formic acid linalyl ester |
Formula | C11 H18 O2 |
CAS Number | 115-99-1 |
Deleted CAS Number | 1219134-10-7 |
FEMA Number | 2642 |
Flavis Number | 9.08 |
ECHA Number | 204-120-6 |
FDA UNII | 3V67WH3R5N |
Nikkaji Number | J183.098H |
Beilstein Number | 115991 |
MDL | MFCD00046140 |
COE Number | 347 |
xLogP3-AA | 3.30 (est) |
NMR Predictor | External link |
JECFA Food Flavoring | 358 linalyl formate |
FDA Patent | No longer provide for the use of these seven synthetic flavoring substances |
FDA Mainterm | 115-99-1 ; LINALYL FORMATE |
Synonyms |
|
Material listed in food chemical codex | Yes |
Molecular weight | 182.26286315918 |
Specific gravity | @ 25 °C |
Pounds per Gallon | |
Boiling Point | 100 to 103°C @ 10 mm Hg |
Acid Value | 1 max KOH/g |
Vapor Pressure | 0.034 mmHg @ 25 °C |
Flash Point TCC Value | 85.56 °C TCC |
logP (o/w) | 3.471 est |
Solubility | |
alcohol | Yes |
fixed oils | Yes |
water, 28.25 mg/L @ 25 °C (est) | Yes |
glycerin | No |
water | No |
Odor Type: Herbal | |
citrus, herbal, bergamot, lavender, soapy, fatty, green, woody | |
Odor strength | medium |
Luebke, William tgsc, (2021) | At 100.00 %. citrus herbal bergamot lavender soapy fatty green woody |
Flavor Type: Herbal | |
citrus, green, herbal, bergamot, lavender, nasturtium, rooty, floral, tropical | |
Luebke, William tgsc, (2021) | Citrus green herbal bergamot lavender nasturtium rooty floral tropical |
(data available) |
Applications | |
Odor purposes | Aldehydic , Apple , Apricot , Bergamot , Berry , Chypre , Cologne , Fern , Fresh and clean , Jasmin , Lavender , Lilac , Lily , Peach , Pineapple , Rose red rose |
Other purposes | Vervain |
Cosmetic purposes | Perfuming agents |
Preferred SDS: View | |
European information : | |
Most important hazard(s): | |
Xi - Irritant | |
R 36/38 - Irritating to skin and eyes. 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) | |
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 (Russell, 1973e) oral-mouse LD50 [sex: M] 5389 mg/kg (Hoffman-LaRoche, Inc., 1967b) oral-rat LD50 > 5000 mg/kg Food and Cosmetics Toxicology. Vol. 13, Pg. 833, 1975. | |
Dermal Toxicity: | |
skin-rabbit LD50 > 5000 mg/kg Food and Cosmetics Toxicology. Vol. 13, Pg. 833, 1975. | |
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 | |||
Recommendation for linalyl formate usage levels up to: | |||
8.0000 % in the fragrance concentrate. | |||
Maximised Survey-derived Daily Intakes (MSDI-EU): | 6.90 (μg/capita/day) | ||
Use levels for FEMA GRAS flavoring substances on which the FEMA Expert Panel based its judgments that the substances are generally recognized as safe (GRAS). | |||
The Expert Panel also publishes separate extensive reviews of scientific information on all FEMA GRAS flavoring substances and can be found at FEMA Flavor Ingredient Library | |||
publication number: 3 | |||
Click here to view publication 3 | |||
average usual ppm | average maximum ppm | ||
baked goods: | - | 13.00000 | |
beverages(nonalcoholic): | - | 1.30000 | |
beverages(alcoholic): | - | - | |
breakfast cereal: | - | - | |
cheese: | - | - | |
chewing gum: | - | 1.20000 | |
condiments / relishes: | - | - | |
confectionery froastings: | - | - | |
egg products: | - | - | |
fats / oils: | - | - | |
fish products: | - | - | |
frozen dairy: | - | 12.00000 | |
fruit ices: | - | 12.00000 | |
gelatins / puddings: | - | - | |
granulated sugar: | - | - | |
gravies: | - | - | |
hard candy: | - | 3.80000 | |
imitation dairy: | - | - | |
instant coffee / tea: | - | - | |
jams / jellies: | - | - | |
meat products: | - | - | |
milk products: | - | - | |
nut products: | - | - | |
other grains: | - | - | |
poultry: | - | - | |
processed fruits: | - | - | |
processed vegetables: | - | - | |
reconstituted vegetables: | - | - | |
seasonings / flavors: | - | - | |
snack foods: | - | - | |
soft candy: | - | - | |
soups: | - | - | |
sugar substitutes: | - | - | |
sweet sauces: | - | - |
European Food Safety Athority(EFSA):Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies... |
European Food Safety Authority (EFSA) reference(s): |
Opinion of the Scientific Panel on food additives, flavourings, processing aids and materials in contact with food (AFC) related to Flavouring Group Evaluation 18 (FGE.18): Aliphatic, alicyclic and aromatic saturated and unsaturated tertiary alcohols, aromatic tertiary alcohols and their esters from chemical group 6 View page or View pdf |
Flavouring Group Evaluation 18, Revision 1 (FGE. 18 Rev1)[1] : Aliphatic, alicyclic and aromatic saturated and unsaturated tertiary alcohols, aromatic tertiary alcohols and their esters from chemical groups 6 and 8 View page or View pdf |
EPI System: View |
AIDS Citations:Search |
Cancer Citations:Search |
Toxicology Citations:Search |
EPA Substance Registry Services (TSCA):115-99-1 |
EPA ACToR:Toxicology Data |
EPA Substance Registry Services (SRS):Registry |
Laboratory Chemical Safety Summary :61040 |
National Institute of Allergy and Infectious Diseases:Data |
WGK Germany:2 |
3,7-dimethylocta-1,6-dien-3-yl formate |
Chemidplus:0000115991 |
RTECS:RG5925600 for cas# 115-99-1 |