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2,4-dimethyl-3-cyclohexene-1-methanyl acetate

Chemical Structure

General Material Information

Preferred name 2,4-dimethyl-3-cyclohexene-1-methanyl acetate
Trivial Name 3-Cyclohexene-1-methanol, 3,5-dimethyl-, 1-acetate
Short Description citrolate (IFF)
Formula C11 H18 O2
CAS Number 67634-25-7
ECHA Number 266-830-2
FDA UNII Search
Nikkaji Number J333.259D
xLogP3-AA 2.10 (est)
NMR Predictor External link
Synonyms
  • agrumenyl acetate (Tadimety)
  • citrolate (IFF)
  • 3-cyclohexene-1-methanol, 3,5-dimethyl-, acetate
  • 3,5-dimethyl cyclohex-3-ene-1-methyl acetate
  • (3,5-dimethyl-1-cyclohex-3-enyl)methyl acetate
  • 2,4-dimethyl-3-cyclohexene-1-methanyl acetate
  • 3,5-dimethyl-3-cyclohexene-1-methyl acetate
  • 3,5-dimethylcyclohex-3-ene-1-methyl acetate
  • floralate
  • jaffaral
  • (3,5-dimethyl-1-cyclohex-3-enyl)methyl acetate
  • 3-Cyclohexene-1-methanol, 3,5-dimethyl-, 1-acetate
  • 3-Cyclohexene-1-methanol, 3,5-dimethyl-, acetate

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

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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
Export Tariff Code:2915.39.9050
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 182.26286315918
Specific gravity @ 25 °C
Pounds per Gallon 7.988 to 8.063
Specific gravity @ 20 °C
Pounds per Gallon 8.006 to 8.081
Refractive Index 1.462 to 1.467 @ 20 °C
Vapor Pressure 0.085 mmHg @ 25 °C
Flash Point TCC Value 85 °C TCC
logP (o/w) 3.48
Shelf life 36 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, 25.89 mg/L @ 25 °C (est) Yes
water No
Stability
alcoholic lotion Unspecified
antiperspirant Unspecified
deo stick Unspecified
detergent Unspecified
fabric softener Unspecified
hard surface cleaner Unspecified
shampoo Unspecified
soap Unspecified

Organoleptic Properties

Odor Type: Citrus
citrus, floral, green, grapefruit, gardenia, petal
Odor strength medium
Substantivity 24 hour(s) at 100.00 %
Luebke, William tgsc, (1988) At 100.00 %. citrus floral green grapefruit gardenia petal
General comment Citrus, grapefruit note also reminiscent of the dry notes of bitter orange oil and melon. Useful in colognes as a freshener to overcome the candy-sweet notes of orange and lemon oil

Potential Uses

Applications
Odor purposes Citrus , Grapefruit , Green , Melon , Orange bitter orange peel
Flavoring purposes Orange bitter orange peel
Cosmetic purposes Perfuming agents

Safety Information

Safety information

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:
Not determined
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 2,4-dimethyl-3-cyclohexene-1-methanyl acetate usage levels up to:
5.0000 % in the fragrance concentrate.
Recommendation for 2,4-dimethyl-3-cyclohexene-1-methanyl acetate 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):67634-25-7
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :106748
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:2
(3,5-dimethyl-1-cyclohex-3-enyl)methyl acetate
Chemidplus:0067634257