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boronia butenal

Chemical Structure

General Material Information

Preferred name boronia butenal
Trivial Name 2-Methyl-4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2-butenal
Short Description boronal (Symrise)
Formula C14 H22 O
CAS Number 3155-71-3
ECHA Number 221-597-6
FDA UNII Search
Nikkaji Number J820.379B
xLogP3-AA 3.40 (est)
NMR Predictor External link
Synonyms
  • boronal (Symrise)
  • 2-butenal, 2-methyl-4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (E)-
  • C14 ional
  • coronal beta
  • 2-methyl-4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2-buten-1-al
  • (2E)-2-methyl-4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2-butenal
  • 2-methyl-4-(2,6,6-trimethyl-1-cyclohexenyl)-2-butenal
  • (E)-2-methyl-4-(2,6,6-trimethyl-1-cyclohexenyl)but-2-enal
  • (E)-2-methyl-4-(2,6,6-trimethyl-cyclohex-1-enyl)-but-2-enal
  • (E)-2-methyl-4-(2,6,6-trimethylcyclohex-1-en-1-yl)but-2-enal
  • (E)-2-methyl-4-(2,6,6-trimethyl-1-cyclohexenyl)but-2-enal
  • 2-Butenal, 2-methyl-4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-
  • 1-Cyclohexene-1-crotonaldehyde, α,2,6,6-tetramethyl-
  • 2-Methyl-4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2-butenal
  • Boronal

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:2912.29.0090
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 206.3285369873
Specific gravity @ 25 °C
Pounds per Gallon 7.813 to 7.897
Refractive Index 1.507 to 1.517 @ 20 °C
Boiling Point 296 to 297°C @ 760 mm Hg
Vapor Pressure 0.001 mmHg @ 25 °C
Vapor Density 7.2
Flash Point TCC Value 100 °C TCC
logP (o/w) 4.054 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.
Solubility
alcohol Yes
water, 1.354 mg/L @ 25 °C (est) Yes
water No

Organoleptic Properties

Odor Type: Floral
dry, sweet, tobacco, nutty, violet, boronia, leafy, hay, woody
Odor strength medium
Substantivity 236 hour(s) at 100.00 %
Luebke, William tgsc, (1993) At 100.00 %. dry sweet tobacco nutty violet boronia dry leaves hay wood acorns
Stable in: body lotion (poor), shampoo (good), soap (good), ap roll-on (good), powder (good), cleaner citric (good), cleaner apc (good), bleach (poor). Floral, reminiscent of boronia absolute, with violet accents and shades of hay, bran, leather and wood

Potential Uses

Applications
Odor purposes Acorn, Aldehydic, Ambergris, Autumn, Boronia, Freesia, Hay new mown hay, Herbal, Tobacco, Violet, Woody
Other purposes Metallic
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 25 - Avoid contact with 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.
Human Experience:
Irritant effect on skin: non-irritant.
Oral/Parenteral Toxicity:
oral-rat LD50 > 2000 mg/kg
Stable in: body lotion (poor), shampoo (good), soap (good), ap roll-on (good), powder (good), cleaner citric (good), cleaner apc (good), bleach (poor).

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 boronia butenal usage levels up to:
6.0000 % in the fragrance concentrate.
Recommendation for boronia butenal 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):3155-71-3
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :5369997
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:2
(E)-2-methyl-4-(2,6,6-trimethyl-1-cyclohexenyl)but-2-enal
Chemidplus:0003155713