Grundinformationen
- Standard-SMILES
Cc1cccc(CC(C)(C)CO)c1- InChIKey
FYMOBFDUZIDKMI-UHFFFAOYSA-N- Summenformel
- C12H18O
- Durchschnittliche Molmasse
- 178,27 g/mol
- Monoisotopische Masse
- 178,13576519
Namen und Bezeichner
- Bevorzugter Name
- Majantol
- IUPAC
- 2,2-dimethyl-3-(3-methylphenyl)propan-1-ol
- Englischer Name
- 2,2-Dimethyl-3-(3-methylphenyl) propanol
- Summenformel
- C12H18O
- Molmasse
- 178.27
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
103694-68-4- PubChem CID
- 175948
- DTXSID
DTXSID0051520- UNII
- 7S411YY2VY
- EC Number
- 403-140-4、687-589-3
- Nikkaji
- J1.670.186F
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3,1
- Polarare Oberfläche (TPSA)
- 20,2 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 13
- Formalladung
- 0
- Komplexität
- 151
Experimentelle und physikochemische Eigenschaften
Physikochemische Eigenschaften
- Schmelzpunkt
- 24 ° · 24°
- Siedepunkt
- 277 ℃ · 277℃
- Dichte
- 0.96 · 0.96
- Dampfdruck
- 2.8 Pa · 2.8Pa at 20℃
- Flammpunkt
- 112 ℃ · 112℃
- storage temp.
- 2 · 2-8°C
- pka
- 15.13 · 15.13±0.10(Predicted)
- Geruch (Odor)
- 100 % · at 100.00 %. floral lily of the valley green tropical
- Geruchsart
- floral
- Wasserlöslichkeit
- 265.8 mg/L · 265.8mg/L at 25℃
- Kosmetik-Inhaltsstoffe Funktionen
- FRAGRANCEPERFUMING
- InChI
- 1S/C12H18O/c1-10-5-4-6-11(7-10)8-12(2,3)9-13/h4-7,13H,8-9H2,1-3H3
- InChIKey
- FYMOBFDUZIDKMI-UHFFFAOYSA-N
- SMILES
- CC1=CC=CC(CC(C)(C)CO)=C1
- LogP
- 3.07 at · 3.07 at 20℃
- EPA chemische Informationen
- 3 · Benzenepropanol, .beta.,.beta.,3-trimethyl- (103694-68-4)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
H412: Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P273, and P501 (click each P-code to see the statement)
H412 (100%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P273, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1551 reports by companies from 2 notifications to the ECHA C&L Inventory.;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
H412 (100%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
Gefahrenhinweise
Regulatory Information
Chemical: Benzenepropanol, .beta.,.beta.,3-trimethyl-
Hazard Traits - Fragrance Allergen;Authoritative List - Annex III of the EU Cosmetics Regulation No. 1223/2009 - Fragrance Allergens;Report - if present in a rinse-off cosmetic product at a concentration at or above 0.01 percent (100 parts per million) or in a leave-on cosmetic product at a concentration at or above 0.001 percent (10 parts per million)
Benzenepropanol, .beta.,.beta.,3-trimethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzenepropanol, .beta.,.beta.,3-trimethyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Status: Active Update: 04-03-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/28296;Status: Active Update: 07-04-2011 https://echa.europa.eu/registration-dossier/-/registered-dossier/9950
Benzenepropanol, .beta.,.beta.,3-trimethyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and Categories
Aquatic Chronic 3 (100%)
Aquatic Chronic 3 (100%)
Hazardous to the aquatic environment (chronic) - category 3
Aquatic Chronic 3
Regulatorische Informationen
Regulatory Information
Chemical: Benzenepropanol, .beta.,.beta.,3-trimethyl-
Hazard Traits - Fragrance Allergen;Authoritative List - Annex III of the EU Cosmetics Regulation No. 1223/2009 - Fragrance Allergens;Report - if present in a rinse-off cosmetic product at a concentration at or above 0.01 percent (100 parts per million) or in a leave-on cosmetic product at a concentration at or above 0.001 percent (10 parts per million)
Benzenepropanol, .beta.,.beta.,3-trimethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzenepropanol, .beta.,.beta.,3-trimethyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Status: Active Update: 04-03-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/28296;Status: Active Update: 07-04-2011 https://echa.europa.eu/registration-dossier/-/registered-dossier/9950
Benzenepropanol, .beta.,.beta.,3-trimethyl-: Does not have an individual approval but may be used under an appropriate group standard
Sicherheitsdaten
- wgk
- WGK 1
- tsca
- TSCA listed
- risk_code
- 52/53
- safety_code
- 61
- Speicherklasse
- 10 - Combustible liquids
- Hazard Classifications
- Aquatic Chronic 3
Chemie und Industrie
Verwendung und Herstellung
IFRA Fragrance Standards
2,2-Dimethyl-3-(3-tolyl)propan-1-ol
Benzenepropanol,.Ã.,. Ã.,3-trimethyl; 2,2-Dimethyl-3-(3-methylphenyl)propanol; Benzene propanol; Majantol (commercial name); Linlan alcohol (commercial name); Muguetol B (commercial name)
IFRA_STD_032.pdf
49
IFRA 51st Amendment - Guidance for the use of IFRA Standards
Restriction: This material should be used only in the limited quantity as stated in the Standard_Specification: This material should be used only if it meets the criteria stated in the Standard
Household Products
Cosmetics product ingredient: 3-(2,2-Dimethyl-3-hydroxypropyl)toluene (Trimethylbenzenepropanol);Trimethylbenzenepropanol is a fragrance allergen. Fragrance allergens are hazardous only to individuals who suffer from fragrance allergies. The Cosmetic Fragrance and Flavor Ingredient Right to Know Act of 2020 requires fragrance allergens included in Annex III of the EU Cosmetics Regulation No. 1223/2009 be reported to the California Department of Public Health. Fragrance allergens are only required to be reported if present in a rinse-off cosmetic product at a concentration at or above 0.01 percent (100 parts per million) or in a leave-on cosmetic product at a concentration at or above 0.001 percent (10 parts per million).;For more information, you can visit the fragrance allergens webpage on the California Safe Cosmetics Program website:;https://www.cdph.ca.gov/Programs/CCDPHP/DEODC/OHB/CSCP/Pages/FragranceAllergens.aspx;Product count: 667
Information on 7 consumer products that contain 3-(2,2-dimethyl-3-hydroxypropyl)toluene; (alt.): 2,2-dimethyl-3-(3-methylphenyl)propanol in the following categories is provided:;• Commercial / Institutional;• Inside the Home
General Manufacturing Information
Soap, Cleaning Compound, and Toilet Preparation Manufacturing
Benzenepropanol, .beta.,.beta.,3-trimethyl-: ACTIVE
Restriction Limits in the Finished Product (%)
0.034 [Products applied to the lips]
0.2 [Products applied to the axillae]
0.025 [Products applied to the face/body using fingertips]
1.7 [Products related to fine fragrances]
0.43 [Products applied to the body using the hands (palms), primarily leave-on (Body lotion)]
0.061 [Products applied to the face using the hands (palms), primarily leave-on (Face moisturizer)]
Anwendungen
Verwenden3-(2,2-Dimethyl-3-hydroxypropyl)toluene is used for cosmetics via layer-by-layer assembled multilayer shells for encapsulation and release of fragrance.
Anbieter50 Anbieter
Zugehörige Reaktionen
Verknüpfte Notizen
Wird geladen…