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reseda acetal

Chemical Structure

General Material Information

Preferred name reseda acetal
Trivial Name 4,4,6-Trimethyl-2-(phenylmethyl)-1,3-dioxane
Short Description reseda body (IFF)
Formula C14 H20 O2
CAS Number 67633-94-7
ECHA Number 266-795-3
FDA UNII Search
Nikkaji Number J333.234I
Beilstein Number 0134216
xLogP3-AA 3.20 (est)
NMR Predictor External link
Synonyms
  • 2-benzyl-4,4,6-trimethyl-1,3-dioxane
  • 2-benzyl-4,4,6-trimethyl-m-dioxane
  • 2-benzyl-4,4,6-trimethyl-meta-dioxane
  • 2-( cyclohexylmethyl)-4,4,6-trimethyl-1,3-dioxane
  • 1,3-dioxane, 2-(phenylmethyl)-4,4,6-trimethyl-
  • m- dioxane, 2-benzyl-4,4,6-trimethyl-
  • 1,3-dioxane, 4,4, 6-trimethyl-2-(phenylmethyl)-
  • 1,3-dioxane, 4,4,6-trimethyl-2-(phenylmethyl)-
  • 2,4-O- phenethylidene(2-methyl)pentylene-2,4-diol
  • phenyl acetaldehyde 2,4-dihydroxy-2-methylpentane acetal
  • phenyl acetaldehyde hexylene glycol cyclic acetal
  • phenyl acetaldehyde HG acetal
  • phenylacetaldehyde 2,4-dihydroxy-2-methylpentane acetal
  • phenylacetaldehyde hexylene glycol cyclic acetal
  • phenylacetaldehyde hexyleneglycol cyclic acetal
  • 2-( phenylmethyl)-4,4,6-trimethyl-1,3-dioxane
  • reseda body (IFF)
  • reseda tone
  • 4,4,6-trimethyl-2-benzyl-1,3-dioxane
  • 2-(cyclohexylmethyl)-4,4,6-trimethyl-1,3-dioxane
  • 1,3-Dioxane, 4,4,6-trimethyl-2-(phenylmethyl)-
  • 4,4,6-Trimethyl-2-(phenylmethyl)-1,3-dioxane
  • NSC 26387
  • 2-Benzyl-4,4,6-trimethyl-1,3-dioxane

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:2932.99.0000
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 220.3117980957
Specific gravity @ 25 °C
Pounds per Gallon 8.254 to 8.321
Specific gravity @ 20 °C
Pounds per Gallon 8.272 to 8.339
Refractive Index 1.495 to 1.5 @ 20 °C
Boiling Point 292 to 293°C @ 760 mm Hg
Vapor Pressure 0.003 mmHg @ 25 °C
Flash Point TCC Value 93.89 °C TCC
logP (o/w) 3.6
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, 29.01 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: Floral
hyacinth, narcissus, reseda, sweet pea, green, bean green bean, balsamic
Odor strength medium , recommend smelling in a 10.00 % solution or less
Substantivity 36 hour(s) at 100.00 %
General comment At 10.00 % in dipropylene glycol. hyacinth narcissus reseda sweet pea green bean balsamic
Arcadi Boix Camps, writing in 1985 tells us that it is “… another important and relatively unknown chemical of extraordinary fragrance between narcissus, reseda, hyacinth and magnolia. It is a minor ingredient in the perfume Alliage, another one of those giants in the world of perfumery that brings together some green notes with odors of incense, costus and ambergris as well as some spicy notes with a lightly woody, Helional, musky galaxolide, hexadecanolide background.” Floral-hyacinth, mignonette, narcissus and sweet pea, green-stringbean

Potential Uses

Applications
Odor purposes Amber, Costus, Green, Hyacinth, Incense, Lily of the valley, Magnolia, Narcissus, Reseda, Spice, Sweet pea
Other purposes Alliage
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:
oral-rat LDLo 5000 mg/kg
Food and Chemical Toxicology. Vol. 30, Pg. 103S, 1992.

Dermal Toxicity:
skin-rabbit LD50 > 5000 mg/kg
Food and Chemical Toxicology. Vol. 30, Pg. 103S, 1992.

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 reseda acetal usage levels up to:
1.0000 % in the fragrance concentrate.
Recommendation for reseda acetal 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):67633-94-7
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :95266
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:2
2-(cyclohexylmethyl)-4,4,6-trimethyl-1,3-dioxane
Chemidplus:0067633947