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rose acetate

Chemical Structure

General Material Information

Preferred name rose acetate
Trivial Name Rosephenone
Short Description rose crystals
Formula C10 H9 Cl3 O2
CAS Number 90-17-5
Deleted CAS Number 39347-18-7
ECHA Number 201-972-0
FDA UNII 4VE62Y0O29
Nikkaji Number J50.598F
Beilstein Number 2270144
MDL MFCD00000804
xLogP3-AA 3.50 (est)
Bio Activity Summary External link
NMR Predictor External link
Synonyms
  • acetic acid alpha-(trichloromethyl) benzyl ester
  • acetic acid, a-(trichloromethyl)benzyl ester
  • benzenemethanol, a-(trichloromethyl)-, acetate
  • benzyl alcohol, a-(trichloromethyl)-, acetate
  • plifenat
  • rosacetol
  • rosalin
  • rose crystals
  • rosephenone
  • rosone
  • trichlor methyl phenyl carbinyl acetate
  • trichlor phenyl methyl carbinyl acetate
  • 2,2,2-trichloro-1-phenyl ethyl acetate
  • 2,2,2-trichloro-1-phenylethyl acetate
  • (2,2,2-trichloro-1-phenylethyl) acetate
  • trichloromethyl phenyl carbinyl acetate
  • alpha-( trichloromethyl) benzene methanol acetate
  • a-( trichloromethyl) benzenemethanol acetate
  • alpha-( trichloromethyl) benzyl acetate
  • alpha-( trichloromethyl) benzyl alcohol acetate
  • a-( trichloromethyl)benzenemethanol acetate
  • a-( trichloromethyl)benzyl acetate
  • trichloromethylphenylcarbinyl acetate
  • (2,2,2-trichloro-1-phenylethyl) acetate
  • Benzenemethanol, α-(trichloromethyl)-, 1-acetate
  • Benzyl alcohol, α-(trichloromethyl)-, acetate
  • Benzenemethanol, α-(trichloromethyl)-, acetate
  • (Trichloromethyl)phenylcarbinyl acetate
  • Rosetone
  • (±)-α-(Trichloromethyl)benzyl acetate
  • α-(Trichloromethyl)benzyl acetate
  • 2,2,2-Trichloro-1-phenylethyl acetate
  • NSC 165582
  • 2-Acetoxy-1,1,1-trichloro-2-phenylethane
  • Crystal rose
  • Rosacetate
  • Rosinol Cryst

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
CHEMBL:View
HMDB (The Human Metabolome Database):Search
Export Tariff Code:2915.40.0000
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 267.5361328125
Melting Point 188 to 191°C @ 760 mm Hg
Vapor Pressure 4.2E-5 mmHg @ 25 °C
Flash Point TCC Value 100 °C TCC
logP (o/w) 3.527 est
Solubility
alcohol Yes
water, 9.645 mg/L @ 25 °C (est) Yes
water No

Organoleptic Properties

Odor Type: Floral
rose, floral, powdery, balsamic, soapy
Odor strength medium , recommend smelling in a 10.00 % solution or less
Substantivity 400 hour(s) at 20.00 % in dipropylene glycol
Luebke, William tgsc, (1982) At 10.00 % in dipropylene glycol. heavy deep rose floral powdery balsamic soapy
Blends-well-with - +Aldehyde C11 undecylenic Heavy floral powdery rose
Arctander says that this material “has found wide application in perfume compositions as a fixative in Rose and Geranium compounds, soap fragrances, powder perfumes, etc. because of its excellent stability and fixative effect. Its odor is better understood upon evaluation of Phenylethylalcohol with and without 5% of this material. There are still perfumers who find the title ester odorless or without any perfumery value, and it is sometimes because the material has been judged too hastily without a compounding experiment. Mild, floral-rose, balsamic
General comment Floral, Sweet powdery Balsamic

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.
Human Experience:
1 % solution: no irritation or sensitization.
Oral/Parenteral Toxicity:
oral-rat LD50 6800 mg/kg
Food and Cosmetics Toxicology. Vol. 13, Pg. 919, 1975.

Dermal Toxicity:
skin-rabbit LD50 > 2000 mg/kg
Food and Cosmetics Toxicology. Vol. 13, Pg. 919, 1975.

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 rose acetate usage levels up to:
0.8000 % in the fragrance concentrate.
Recommendation for rose 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):90-17-5
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :7007
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:2
(2,2,2-trichloro-1-phenylethyl) acetate
Chemidplus:0000090175
RTECS:AJ8375000 for cas# 90-17-5