3- (2,2- 디메틸 -3- 히드 록시 프로필) 톨루엔

Majantol

HCID 175948CAS 103694-68-4

기본 정보

표준 SMILES
Cc1cccc(CC(C)(C)CO)c1
InChIKey
FYMOBFDUZIDKMI-UHFFFAOYSA-N
분자식
C12H18O
평균 분자량
178.27 g/mol
단동위원소 질량
178.13576519

이름 및 식별자

우선 이름
Majantol
IUPAC
2,2-dimethyl-3-(3-methylphenyl)propan-1-ol
현지명
3- (2,2- 디메틸 -3- 히드 록시 프로필) 톨루엔
영어명
2,2-Dimethyl-3-(3-methylphenyl) propanol
분자식
C12H18O
분자량
178.27

이름 및 동의어

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
이름 더 보기
3-(2,2-디메틸-3-히드록시프로필)톨루엔트라이메틸벤젠프로판올β,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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP
3.1
극성 표면적
20.2 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
1
회전 가능 결합 수
3
무거운 원자 수
13

실험 및 물리화학적 성질

Physical DescriptionLiquid

물리화학적 성질

녹는점
24 ° · 24°
끓는 점
277 ℃ · 277℃
밀도
0.96 · 0.96
증기압
2.8 Pa · 2.8Pa at 20℃
인화점
112 ℃ · 112℃
저장 조건
2 · 2-8°C
화학적 성질 · 1건

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.

안전 및 규제

GHS 분류

GHS Classification · 6건

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]

유해성 정보

Regulatory Information · 6건

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 · 4건

Aquatic Chronic 3 (100%)

Aquatic Chronic 3 (100%)

Hazardous to the aquatic environment (chronic) - category 3

Aquatic Chronic 3

규제 정보

Regulatory Information · 6건

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

안전 데이터

wgk
WGK 1
tsca
TSCA listed
risk_code
52/53
safety_code
61
기존화학 물질
2011-3-5263
Hazard Classifications
Aquatic Chronic 3

화학 및 산업

용도 및 제조

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 · 6건

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 · 2건

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

응용 분야

용도3-(2,2-Dimethyl-3-hydroxypropyl)toluene is used for cosmetics via layer-by-layer assembled multilayer shells for encapsulation and release of fragrance.

공급사50 곳

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]

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3건

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