2,2-ジメチル-3-(3-トリル)プロパン-1-オール

Majantol

HCID 175948

基本情報

CAS
103694-68-4
標準SMILES
Cc1cccc(CC(C)(C)CO)c1
InChIKey
FYMOBFDUZIDKMI-UHFFFAOYSA-N
分子式
C12H18O
平均分子量
178.27 g/mol
単同位体質量
178.13576519

名称と識別子

優先名称
Majantol
IUPAC
2,2-dimethyl-3-(3-methylphenyl)propan-1-ol
現地名
2,2-ジメチル-3-(3-トリル)プロパン-1-オール
英語名
2,2-Dimethyl-3-(3-methylphenyl) propanol
分子式
C12H18O
分子量
178.27

名称と別名

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
名称をさらに表示
2,2-ジメチル-3-(3-トリル)プロパン-1-オール2,2-ジメチル-3-(3-メチルフェニル)-1-プロパノール2,2-ジメチル-3-(3-メチルフェニル)プロパン-1-オールマジャントール2,2-ジメチル-3-(3-メチルフェニル)プロパノールトリメチルベンゼンプロパノール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

データベース識別子

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

物性

構造計算による物性

XLogP
3.1
極性表面積
20.2 Ų
水素結合供与体数
1
水素結合受容体数
1
回転可能結合数
3
重原子数
13

実験および物理化学的性質

Physical DescriptionLiquid

物理化学的性質

融点
24 ° · 24°
沸点
277 ℃ · 277℃
比重(密度)
0.96 · 0.96
蒸気圧
2.8 Pa · 2.8Pa at 20℃
闪点
112 ℃ · 112℃
貯蔵温度
2 · 2-8°C
化学的性質 · 1 件

化学的特性2,2-DIMETHYL-3-(3-METHYLPHENYL) PROPANOL is not reported as being found in nature. It is a viscous liquid or crystalline mass, mp 22 °C, bp0.013 kPa 74–76 °C, d25 4 0.960, n20 D 1.515–1.518, with a fresh floral odor, reminiscent of lily of the valley and linden blossoms. It is prepared by reaction of 3-methylbenzyl chloride with 2-methylpropanal in the presence of tetrabutylammonium iodide and reduction of the resulting aldehyde with NaBH4. It can be used in perfume compositions for toiletries, soaps, and detergents.

安全と法規制

GHS分類

GHS Classification · 6 件

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]

危険有害性情報

Regulatory Information · 6 件

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 件

Aquatic Chronic 3 (100%)

Aquatic Chronic 3 (100%)

Hazardous to the aquatic environment (chronic) - category 3

Aquatic Chronic 3

法規制情報

Regulatory Information · 6 件

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

安全データ

wgk
WGK 1
tsca
TSCA listed
risk_code
52/53
safety_code
61
Hazard Classifications
Aquatic Chronic 3
ストレージクラス
10 - Combustible liquids

化学と産業

用途と製造

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 件

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 件

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

応用分野

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

サプライヤー80 社

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]

関連反応

3 件

化合物ノート

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