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nopyl acetate

Chemical Structure

General Material Information

Preferred name nopyl acetate
Trivial Name Nopyl acetate
Short Description 2-norpinene-2-ethanol, 6,6-dimethyl-, acetate
Formula C13 H20 O2
CAS Number 128-51-8
ECHA Number 204-891-9
FDA UNII OTX3UCY28V
Nikkaji Number J59.368K
xLogP3-AA 2.60 (est)
Bio Activity Summary External link
NMR Predictor External link
Synonyms
  • acetate de nopyle
  • bicyclo(3.1.1)hept-2-ene-2-ethanol, 6,6-dimethyl-, acetate
  • bicyclo[3.1.1]hept-2-ene-2-ethanol, 6,6-dimethyl-, acetate
  • 6,6-dimethyl bicyclo(3.1.1)-2-heptene-2-ethyl acetate
  • 6,6-dimethyl bicyclo(3.1.1)hept-2-ene-2-ethanol acetate
  • 6,6-dimethyl bicyclo(3.1.1)hept-2-ene-2-ethanyl acetate
  • 6,6-dimethyl-2-norpinene-2-ethanol acetate
  • 6,6-dimethyl-2-norpinene-2-ethanol, acetate
  • 6,6-dimethyl-2-norpinene-2-ethanyl acetate
  • 6,6-dimethylbicyclo(3.1.1)-2-heptene-2-ethyl acetate
  • 6,6-dimethylbicyclo[3.1.1]-2-heptene-2-ethyl acetate
  • 2-(6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)ethyl acetate
  • 6,6-dimethylbicyclo[3.1.1]hept-2-ene-2-ethyl acetate
  • lignyl acetate
  • nopol acetate
  • 2-pinene-10-methyl acetate
  • 2-nor pinene-2-ethanol, 6,6-dimethyl-, acetate
  • 2-(6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)ethyl acetate
  • Bicyclo[3.1.1]hept-2-ene-2-ethanol, 6,6-dimethyl-, 2-acetate
  • 2-Norpinene-2-ethanol, 6,6-dimethyl-, acetate
  • Citroviol
  • 7,7-Dimethylbicyclo[3.1.1]hept-2-ene-2-ethanol acetate
  • NSC 1286
  • NSC 404963

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:2915.39.9050
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 208.30079650879
Specific gravity @ 25 °C
Pounds per Gallon 8.138 to 8.155
Specific gravity @ 20 °C
Pounds per Gallon 8.139 to 8.206
Refractive Index 1.471 to 1.474 @ 20 °C
Vapor Pressure 0.008 mmHg @ 25 °C
Flash Point TCC Value 107.22 °C TCC
logP (o/w) 3.889 est
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, 8.429 mg/L @ 25 °C (est) Yes
water No

Organoleptic Properties

Odor Type: Herbal
herbal, bergamot, woody, pine, lavender
Odor strength medium
Substantivity > 2 hour(s) at 100.00 %
Luebke, William tgsc, (1989) At 100.00 %. herbal linalyl acetate woody pine lavender
Used mainly in citrus, orange-flower, and fougeres. Widely used in household fragrances. Sweet, woody-fruity
General comment Woody, herbal

Potential Uses

Applications
Odor purposes Balsam, Bergamot, Bubble gum, Cedar, Citrus, Cologne, Fern, Floral, Jasmin, Lavender, Neroli, Petitgrain, Pine, Sea breeze, Spring rain, Woody
Other purposes Tide
Cosmetic purposes Fragrance

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)
Acute toxicity, Oral (Category 4), H302
GHS Label elements, including precautionary statements
Pictogramexclamation-mark.jpg
Signal word Warning
Hazard statement(s)
H302 - Harmful if swallowed
Precautionary statement(s)
P264 - Wash skin thouroughly after handling.
P270 - Do not eat, drink or smoke when using this product.
P301 + P312 - IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.
P330 - Rinse mouth.
P501 - Dispose of contents/ container to an approved waste disposal plant.
Oral/Parenteral Toxicity:
oral-rat LD50 3000 mg/kg
Food and Cosmetics Toxicology. Vol. 12, Pg. 943, 1974.

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 nopyl acetate usage levels up to:
25.0000 % in the fragrance concentrate.
Recommendation for nopyl 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):128-51-8
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :101604
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:2
2-(6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)ethyl acetate
Chemidplus:0000128518