기본 정보
- CAS
68083-58-9- 표준 SMILES
CC(=O)OC(C)CC(C)(C)c1ccccc1- InChIKey
MXIGGIZQUGDKAP-UHFFFAOYSA-N- 분자식
- C14H20O2
- 평균 분자량
- 220.31 g/mol
- 단동위원소 질량
- 220.14632988
개요
structure in first source
이름 및 식별자
- 우선 이름
- Benzenepropanol, alpha,gamma,gamma-trimethyl-, 1-acetate
- IUPAC
- (4-methyl-4-phenylpentan-2-yl) acetate
- 현지명
- 4-메틸-4-페닐-2-펜틸아세테이트
- 영어명
- 4-Methyl-4-phenyl-2-pentyl acetate
- 분자식
- C14H20O2
- 분자량
- 220.31
이름 및 동의어
68083-58-91,3-Dimethyl-3-phenylbutyl acetateDTXSID4052392Benzenepropanol, alpha,gamma,gamma-trimethyl-, acetateBenzenepropanol, alpha,gamma,gamma-trimethyl-, 1-acetateRefChem:72712DTXCID4030964268-407-84-Methyl-4-phenyl-2-pentyl acetate4-METHYL-4-PHENYLPENTAN-2-YL ACETATEVetikolacetate(4-methyl-4-phenylpentan-2-yl) acetate
이름 더 보기
4-메틸-4-페닐-2-펜틸아세테이트VetacetateVETIKOLACETATVETICOL ACETATEWOODINYL-ACETATEgardenia pentyl acetate1,3-Dimethyl-3-phenylbutylacetat1,3-Dimethyl-3-phenylbutylacetate3-Phenyl-1,3-dimethylbutylacetateMETHYL 4 PHENYL 4 PENTYL 2 ACETATE
3-Phenyl-1,3-dimethylbutyl acetateEINECS 268-407-8VETIKOL ACETATESCHEMBL296507MXIGGIZQUGDKAP-UHFFFAOYSA-NBenzenepropanol, .alpha.,.gamma.,.gamma.-trimethyl-, acetateTCA08358NS00012325
물성
구조 계산 물성
- XLogP
- 3.7
- 극성 표면적
- 26.3 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 16
- 형식 전하
- 0
- 복잡도
- 227
실험 및 물리화학적 성질
FragrancesFragrance Ingredient (1,3-Dimethyl-3-phenylbutyl acetate) -> IFRA transparency List
Physical DescriptionLiquid
물리화학적 성질
- 끓는 점
- 101 · 101-102 °C(Press: 3 Torr)
- 밀도
- 0.9966 g/cm3 · 0.9966 g/cm3
- 증기압
- 3.7 Pa · 3.7Pa at 20℃
- 인화점
- 93.3 ° · >93.3°
- 냄새
- 100 %에서 · 100.00%에서. 신선한 녹색 기름진 치자나무 자몽 우디 발사믹
- 냄새 유형
- 꽃향기
- 수용성
- 84.5 mg/L · 84.5mg/L at 20℃
- 화장품 원료 기능
- 향수
- LogP
- 3.55 at · 3.55 at 22.4℃
- EPA
- Benzenepropanol, .alpha.,.gamma.,.gamma.-trimethyl-, acetate (68083-58-9)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 96.6% (1522 of 1576) of all reports.
Not Classified
Aggregated GHS information provided per 1576 reports by companies from 3 notifications to the ECHA C&L Inventory.
유해성 정보
Regulatory Information
Chemical: Benzenepropanol, .alpha.,.gamma.,.gamma.-trimethyl-, acetate
Benzenepropanol, .alpha.,.gamma.,.gamma.-trimethyl-, 1-acetate is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzenepropanol, .alpha.,.gamma.,.gamma.-trimethyl-, 1-acetate 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)
REACH registered substance: 1,3-dimethyl-3-phenylbutyl acetate (EC: 268-407-8)
Benzenepropanol, .alpha.,.gamma.,.gamma.-trimethyl-, acetate: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesNot Classified
안전 데이터
- tsca
- TSCA listed
화학 및 산업
용도 및 제조
U.S. Production2023: 46,834 lb
Consumer UsesFragrance
Industry UsesFragrance
Use ClassificationFragrance Ingredients
General Manufacturing Information
Soap, Cleaning Compound, and Toilet Preparation Manufacturing
Benzenepropanol, .alpha.,.gamma.,.gamma.-trimethyl-, 1-acetate: ACTIVE
공급사17 곳
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
武汉丰泰威远科技有限公司+86-27-8746-5837 +86-18627785180 · [email protected]
武汉丰泰威远科技有限公司027-87465837 19945049750 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
湖北世腾化工科技有限公司19086915685 18971850150 · [email protected]
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