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berry hexanoate

Chemical Structure

General Material Information

Preferred name berry hexanoate
Trivial Name Ethyl 6-(acetyloxy)hexanoate
Short Description berryflor (Givaudan)
Formula C10 H18 O4
CAS Number 104986-28-9
FDA UNII 1OAQ63V3NJ
Nikkaji Number J1.552.374C
MDL MFCD00672179
xLogP3-AA 1.40 (est)
NMR Predictor External link
Synonyms
  • berryflor (Givaudan)
  • ethyl 6-(acetyl oxy) hexanoate
  • ethyl 6-acetoxyhexanoate
  • ethyl 6-acetyloxyhexanoate
  • ethyl acetoxyhexanoate
  • hexanoic acid, 6-(acetyloxy)-, ethyl ester
  • jasminoberry (Tadimety)
  • Ethyl 6-(acetyloxy)hexanoate
  • Berryflor

US / EU / FDA / JECFA / FEMA / Scholar / Patents

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Literature & References

ethyl 6-acetyloxyhexanoate
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:104986-28-9
Pubchem (cid):113640
Pubchem (sid):135071154
Publications by US Patents
4,668,433 - Novel derivatives of 6-hydroxyhexanoates as fragrance ingredients

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
HMDB (The Human Metabolome Database):Search
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 202.25025939941
Specific gravity @ 25 °C
Pounds per Gallon 8.363 to 8.396
Refractive Index 1.426 to 1.43 @ 20 °C
Boiling Point 252 to 253°C @ 760 mm Hg
Acid Value 1 max KOH/g
Vapor Pressure 0.02 mmHg @ 25 °C
Flash Point TCC Value 93.33 °C TCC
logP (o/w) 2
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.
Solubility
alcohol Yes
water, 125 mg/L @ 20 °C (exp) Yes
Stability
alcoholic - good Unspecified
antiperspirant spray - moderate Unspecified
APC (pH = 10) - poor Unspecified
candles - good Unspecified
damp fabric - moderate Unspecified
dry fabric - poor Unspecified
liquid bleach - poor Unspecified
pH = 2 - poor Unspecified
powder detergent - moderate Unspecified
powder detergent + activator - moderate Unspecified
soap - good Unspecified
toiletries - good Unspecified

Organoleptic Properties

Odor Type: Fruity
fruity, floral, anisic, fresh, raspberry, jasmin, balsamic
Odor strength medium
Substantivity 24 hour(s) at 100.00 %
Luebke, William tgsc, (2006) At 100.00 %. fruity floral anisic fresh raspberry jasmin
Berryflor is a floral, fruity, raspberry-like product with jasmine, anise and balsamic aspects. It blends well with floral, woody and musky notes, and with the Isoraldeines and other ionones. It enriches and softens accords in all fields of perfumery. Fruity, Floral, Fresh, Balsamic
General comment Fruity, Floral-Anisic, Fresh, Balsamin with Jasmine notes

Potential Uses

Applications
Odor purposes Balsam, Berry, Cyclamen, Floral, Fruit, Jasmin, Lily, Musk, Raspberry, Woody
Cosmetic purposes Perfuming agents

Safety Information

Safety information

European information :
Most important hazard(s):
Xi - Irritant
R 36/37/38 - Irritating to eyes, respiratory system, and skin.
S 02 - Keep out of the reach of children.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 36/37/39 - Wear suitable clothing, gloves and eye/face protection.
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 5044 mg/kg

Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined

Safety in use information

Category:
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 berry hexanoate usage levels up to:
25.0000 % in the fragrance concentrate.
Recommendation for berry hexanoate flavor usage levels up to:
not for flavor use.

Safety references

EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):104986-28-9
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :113640
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:1
ethyl 6-acetyloxyhexanoate
Chemidplus:0104986289