기본 정보
- 표준 SMILES
Cc1ccccc1CCO- InChIKey
RUGISKODRCWQNE-UHFFFAOYSA-N- 분자식
- C9H12O
- 평균 분자량
- 136.19 g/mol
- 단동위원소 질량
- 136.088815
이름 및 식별자
- 우선 이름
- 2-Methylphenethyl alcohol
- IUPAC
- 2-(2-methylphenyl)ethanol
- 영어명
- 2-Methylphenethyl alcohol
- 분자식
- C9H12O
- 분자량
- 136.19
이름 및 동의어
2-Methylphenethyl alcohol19819-98-82-(2-Methylphenyl)ethanolBenzeneethanol, 2-methyl-o-Methylphenethyl alcohol2-o-TolylethanolPhenethyl alcohol, o-methyl-2-MethylbenzeneethanolDTXSID1047071UNII-VX8700JGJPVX8700JGJPPEOMOSA
이름 더 보기
peony alcohol2-Methylphenylethanolo-Methylphenylethanol2-methylbenzenethanol2-methyl-benzeneethano2-methyl-Benzeneethanol
EINECS 243-349-6NSC 409882NSC-409882Phenethyl alcohol, 2'-methylAI3-07014J149.931IDTXCID9027071RefChem:88364
데이터베이스 식별자
- CAS
19819-98-8- PubChem CID
- 88267
- DTXSID
DTXSID1047071- ChEMBL
CHEMBL3182526- UNII
- VX8700JGJP
- EC Number
- 243-349-6
- Nikkaji
- J149.931I
물성
구조 계산 물성
- XLogP
- 2.3
- 극성 표면적
- 20.2 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 10
- 형식 전하
- 0
- 복잡도
- 90.7
실험 및 물리화학적 성질
FragrancesFragrance Ingredient (o-Tolylethanol) -> IFRA transparency List
물리화학적 성질
- 녹는점
- 1 °C · 1°C
- 끓는 점
- 243 · 243-244 °C(lit.)
- 밀도
- 1.016 g/mL · 1.016 g/mL at 25 °C(lit.)
- 증기압
- 1.9 Pa · 1.9Pa at 24℃
- 굴절률
- 20 · n20/D 1.535(lit.)
- 인화점
- 230 °F · >230 °F
- 저장 조건
- Sealed in dry,Room Temperature
- 산도 계수 (pKa)
- 14.87 · 14.87±0.10(Predicted)
- 물리적 상태
- 투명한 액체
- 색상
- 무색 내지 거의 무색
- 냄새
- 100 %에서 · 100.00%에서. 천연 꽃 장미 모란 밀랍 미모사
- 냄새 유형
- 꽃향기
- 수용성
- 12.339 g/L · 12.339g/L at 24℃
- 화장품 원료 기능
- 향수
- InChI
- 1S/C9H12O/c1-8-4-2-3-5-9(8)6-7-10/h2-5,10H,6-7H2,1H3
- InChIKey
- RUGISKODRCWQNE-UHFFFAOYSA-N
- SMILES
- Cc1ccccc1CCO
- LogP
- 2.1 at · 2.1 at 25℃
- EPA
- 2 · 2-Methylbenzeneethanol (19819-98-8)
화학적 성질
CLEAR COLOURLESS LIQUID
안전 및 규제
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 99.8% (1510 of 1513) of all reports.
Not Classified
Aggregated GHS information provided per 1513 reports by companies from 3 notifications to the ECHA C&L Inventory.
유해성 정보
Regulatory Information
Chemical: Benzeneethanol, 2-methyl-
Status: Active Update: 13-04-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/19284
Benzeneethanol, 2-methyl-: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to environment
Hazard Classes and CategoriesNot Classified
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- HS 번호
- 29062990
- safety_code
- 24/25
- 기존화학 물질
- 2011-3-5215
- 스토리지 클래스
- 10 - Combustible liquids
화학 및 산업
용도 및 제조
Use ClassificationFragrance Ingredients
General Manufacturing InformationBenzeneethanol, 2-methyl-: ACTIVE
응용 분야
용도2-Methylphenethyl alcohol may be used in chemical synthesis.
상·하류 제품 정보
상류 원료
하류 제품
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