Preferred name | octanal (aldehyde C-8) |
Trivial Name | Octanal |
Short Description | caprylic aldehyde |
Formula | C8 H16 O |
CAS Number | 124-13-0 |
FEMA Number | 2797 |
Flavis Number | 5.009 |
ECHA Number | 204-683-8 |
FDA UNII | XGE9999H19 |
Nikkaji Number | J2.504F |
Beilstein Number | 1744086 |
MDL | MFCD00007029 |
COE Number | 97 |
xLogP3-AA | 2.70 (est) |
Bio Activity Summary | External link |
NMR Predictor | External link |
JECFA Food Flavoring | 98 octanal |
FDA Patent | No longer provide for the use of these seven synthetic flavoring substances |
FDA Mainterm | 124-13-0 ; OCTANAL |
Synonyms |
|
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Google Books | Start search |
Google Patents | Start search |
Perfumer & Flavorists | Start search |
EU Patents | Start search |
PubMeb | Start search |
NCBI | Start search |
octanal | |
NIST Chemistry WebBook: | Search Inchi |
Canada Domestic Sub. List: | 124-13-0 |
Pubchem (cid): | 454 |
Pubchem (sid): | 134975052 |
Flavornet: | 124-13-0 |
Pherobase: | View |
(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 |
CHEBI: | View |
CHEMBL: | View |
Metabolomics Database: | Search |
UM BBD: | Search |
KEGG (GenomeNet): | C01545 |
HMDB (The Human Metabolome Database): | HMDB01140 |
FooDB: | FDB003339 |
YMDB (Yeast Metabolome Database): | YMDB00824 |
Export Tariff Code: | 2912.19.5000 |
Typical G.C. | |
VCF-Online: | VCF Volatile Compounds in Food |
ChemSpider: | View |
Wikipedia: | View |
Formulations/Preparations: grade: technical, fcc |
Material listed in food chemical codex | Yes |
Molecular weight | 128.21472167969 |
Specific gravity | @ 25 °C |
Pounds per Gallon | 6.74 to 6.906 |
Specific gravity | @ 20 °C |
Pounds per Gallon | 6.815 to 6.881 |
Refractive Index | 1.417 to 1.425 @ 20 °C |
Melting Point | 12 to 15°C @ 760 mm Hg |
Boiling Point | 171 to 173°C @ 760 mm Hg |
Acid Value | 10 max KOH/g |
Vapor Pressure | 2.068 mmHg @ 25 °C |
Vapor Density | 4.4 |
Flash Point TCC Value | 51.67 °C TCC |
logP (o/w) | 2.951 est |
Shelf life | 12 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 |
paraffin oil | Yes |
propylene glycol | Yes |
water, 394.3 mg/L @ 25 °C (est) | Yes |
water, 560 mg/L @ 25 °C (exp) | Yes |
glycerin | No |
Stability | |
cream | Unspecified |
deodorant spray | Unspecified |
hair spray | Unspecified |
non-discoloring in most media | Unspecified |
permanent wave lotion | Unspecified |
shampoo | Unspecified |
soap | Unspecified |
Odor Type: Aldehydic | |
aldehydic, waxy, citrus, orange peel, green, herbal, fresh, fatty, orange, peely | |
Odor strength | high , recommend smelling in a 1.00 % solution or less |
Substantivity | 7 hour(s) at 100.00 % |
Luebke, William tgsc, (1982) | At 1.00 % in dipropylene glycol. aldehydic waxy citrus orange peel green herbal fresh fatty |
Mosciano, Gerard P&F 17, No. 5, 127, (1992) | Aldehydic, waxy, citrus orange with a green peely nuance |
Flavor Type: Aldehydic | |
aldehydic, green, waxy, fatty, peely, citrus, orange | |
Luebke, William tgsc, (1982) | Aldehydic green waxy fatty peely citrus orange |
Mosciano, Gerard P&F 17, No. 5, 127, (1992) | At 25.00 ppm. Aldehyde, green with a peely citrus orange note |
Widely used in flavors especially for lift. | Aldehyde green |
(data available) |
Applications | |
Odor purposes | Aldehydic , Apricot , Bergamot , Butter , Cherry , Citronella , Citrus , Clary sage oil replacer , Clover , Cologne , Floral , Gardenia , Grapefruit , Green , Green grass , Heliotrope , Jasmin , Lavandin , Lemon , Lemongrass , Mandarin , Melon , Neroli , Orange , Orange bitter orange peel , Orange blossom , Petitgrain lime petitgrain , Plum , Rose red rose , Rose white rose , Strawberry , Tangerine , Verbena , Violet , Wintergreen |
Flavoring purposes | Carrot , Orange bitter orange peel , Petitgrain lime petitgrain |
Other purposes | Joy |
Cosmetic purposes | Perfuming agents |
Preferred SDS: View | |
European information : | |
Most important hazard(s): | |
Xi - Irritant | |
R 10 - Flammable. R 36/38 - Irritating to skin and eyes. S 02 - Keep out of the reach of children. S 16 - Keep away from sources of ignition - No Smoking. 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. | |
Hazards identification | |
Classification of the substance or mixture | |
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS) | |
Flammable liquids (Category 3), H226 | |
GHS Label elements, including precautionary statements | |
Pictogram | ![]() |
Signal word | Warning |
Hazard statement(s) | |
H226 - Flammable liquid and vapour | |
Precautionary statement(s) | |
P210 - Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P233 - Keep container tightly closed. P240 - Ground/bond container and receiving equipment. P241 - Use explosion-proof electrical/ventilating/lighting/…/equipment. P242 - Use only non-sparking tools. P243 - Take precautionary measures against static discharge. P280 - Wear protective gloves/protective clothing/eye protection/face protection. P303 + P361 + P353 - IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower. P370 + P378 - In case of fire: Use dry sand, dry chemical or alcohol-resistant foam for extinction. P403 + P235 - Store in a well-ventilated place. Keep cool. P501 - Dispose of contents/ container to an approved waste disposal plant. | |
Oral/Parenteral Toxicity: | |
oral-rat LD50 5630 mg/kg FCTXAV 11,95,73 | |
Dermal Toxicity: | |
skin-rabbit LD50 6350 mg/kg FCTXAV 11,95,73 | |
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 octanal (aldehyde C-8) usage levels up to: | |||
1.0000 % in the fragrance concentrate. | |||
Structure Class: | I | ||
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: | - | 4.40000 | |
beverages(nonalcoholic): | - | 1.40000 | |
beverages(alcoholic): | - | - | |
breakfast cereal: | - | - | |
cheese: | - | - | |
chewing gum: | - | 0.10000 | |
condiments / relishes: | - | - | |
confectionery froastings: | - | - | |
egg products: | - | - | |
fats / oils: | - | - | |
fish products: | - | - | |
frozen dairy: | - | 1.60000 | |
fruit ices: | - | 1.60000 | |
gelatins / puddings: | 3.00000 | 6.10000 | |
granulated sugar: | - | - | |
gravies: | - | - | |
hard candy: | - | 3.40000 | |
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 Authority (EFSA) reference(s): |
Flavouring Group Evaluation 3, Revision 1 (FGE.03Rev1): Acetals of branched- and straight-chain aliphatic saturated primary alcohols and branched- and straight-chain saturated or unsaturated aldehydes, an ester of a hemiacetal and an orthoester of formic acid, from chemical groups 1, 2 & 4 Commission Regulation (EC) No 1565/2000 of 18 July 2000) [1] - Scientific Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC)on a request from the Commission View page or View pdf |
Flavouring Group Evaluation 61 (FGE.61): Consideration of aliphatic acyclic acetals evaluated by JECFA (57th meeting) structurally related to acetals of branched- and straight-chain aliphatic saturated primary alcohols and branched- and straight-chain saturated aldehydes, and an orthoester of formic acid evaluated by EFSA in FGE.03 (2004) (Commission Regulation (EC) No 1565/2000 of 18 July 2000) View page or View pdf |
Flavouring Group Evaluation 61, Revision 1 (FGE.61Rev1): Consideration of aliphatic acetals evaluated by JECFA (57th meeting) structurally related to acetals of branched- and straight-chain aliphatic saturated primary alcohols and branched- and straight-chain saturated aldehydes and one orthoester of formic acid evaluated View page or View pdf |
Scientific Opinion on the safety and efficacy of straight-chain primary aliphatic alcohols/aldehydes/acids, acetals and esters with esters containing saturated alcohols and acetals containing saturated aldehydes (chemical group 1) when used as flavourings for all animal species View page or View pdf |
EPI System: View |
AIDS Citations:Search |
Cancer Citations:Search |
Toxicology Citations:Search |
EPA Substance Registry Services (TSCA):124-13-0 |
EPA ACToR:Toxicology Data |
EPA Substance Registry Services (SRS):Registry |
Laboratory Chemical Safety Summary :454 |
National Institute of Allergy and Infectious Diseases:Data |
WISER:UN 1191 |
WGK Germany:2 |
octanal |
Chemidplus:0000124130 |
EPA/NOAA CAMEO:hazardous materials |
RTECS:RG7780000 for cas# 124-13-0 |