Majantol

HCID 175948

Basic information

CAS
103694-68-4
Standard SMILES
Cc1cccc(CC(C)(C)CO)c1
InChIKey
FYMOBFDUZIDKMI-UHFFFAOYSA-N
Molecular formula
C12H18O
Average molar mass
178.27 g/mol
Monoisotopic mass
178.13576519

Names & identifiers

Preferred name
Majantol
IUPAC
2,2-dimethyl-3-(3-methylphenyl)propan-1-ol
English name
2,2-Dimethyl-3-(3-methylphenyl) propanol
Molecular formula
C12H18O
Molecular weight
178.27

Names & synonyms

103694-68-4MajantolBenzenepropanol, beta,beta,3-trimethyl-7S411YY2VYRefChem:899824403-140-42,2-Dimethyl-3-(m-tolyl)propan-1-ol2,2-dimethyl-3-(3-methylphenyl)propan-1-olTrimethylbenzenepropanol2,2-Dimethyl-3-(3-methylphenyl)propanolUNII-7S411YY2VYMFCD03701092
Show more names
β,β,3-Trimethylbenzenepropanolbenzenepropanol,",,3-Trimethylbenzenepropanol"Benzenepropanol, β,β,3-trimethyl-Majantol 1000 μg/mL in Acetonitrilebeta,beta,3-trimethyl-benzenepropano
2,2-DIMETHYL-3-(3-METHYLPHENYL) PROPANOL3-(2,2-dimethyl-3-hydroxypropyl)tolueneBenzenepropanol, .beta.,.beta.,3-trimethyl-2,2-Dimethyl-3-(3-tolyl)propan-1-ol2,2-Dimethyl-3-(m-tolyl)-1-propanolD710722,2-dimethyl-3-(3-methylphenyl)-propanol2,2-dimethyl-3-(3-methylphenyl)-propan-1-ol

Database identifiers

CAS
103694-68-4
PubChem CID
175948
DTXSID
DTXSID0051520
UNII
7S411YY2VY
EC Number
403-140-4、687-589-3
Nikkaji
J1.670.186F

Properties

Computed structural properties

XLogP
3.1
Topological polar surface area
20.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
1
Rotatable bonds
3
Heavy atoms
13

Experimental & physicochemical properties

Physical DescriptionLiquid

Physicochemical properties

Melting point
24 ° · 24°
Boiling point
277 ℃ · 277℃
Density
0.96 · 0.96
vapor pressure
2.8 Pa · 2.8Pa at 20℃
Flash point
112 ℃ · 112℃
storage temp.
2 · 2-8°C

Safety & regulation

GHS classification

GHS Classification · 6 items

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]

Hazard information

Regulatory Information · 6 items

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

Other Safety InformationIMAP assessments - Benzenepropanol, .beta.,.beta.,3-trimethyl-: Environment tier I assessment;IMAP assessments - Benzenepropanol, .beta.,.beta.,3-trimethyl-: Human health tier I assessment
Hazard Classes and Categories · 4 items

Aquatic Chronic 3 (100%)

Aquatic Chronic 3 (100%)

Hazardous to the aquatic environment (chronic) - category 3

Aquatic Chronic 3

Regulatory information

Regulatory Information · 6 items

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

Safety data

wgk
WGK 1
tsca
TSCA listed
risk_code
52/53
Signal word
Warning
Symbol(GHS)
GHS07
safety_code
61

Chemistry & industry

Uses & manufacturing

U.S. Production2023: 100,000 - <250,000 lb;2022: 100,000 - <250,000 lb;2021: 250,000 - <400,000 lb;2020: 50,000 - <250,000 lb
Consumer UsesFragrance;Odor agents
Industry UsesFragrance;Odor agents
IFRA Fragrance Standards · 6 items

2,2-Dimethyl-3-(3-tolyl)propan-1-ol

Benzenepropanol,.ß.,. ß.,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 · 2 items

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

Use ClassificationFragrance Ingredients

Applications

Uses3-(2,2-Dimethyl-3-hydroxypropyl)toluene is used for cosmetics via layer-by-layer assembled multilayer shells for encapsulation and release of fragrance.

Suppliers80 total

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
Hebei Zhuanglai Chemical Trading Co Ltd+86-16264648883 · [email protected]
毕佳索(上海毕得医药科技股份有限公司)400-6005915 · [email protected]

Related reactions

3 records

Compound notes

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