메톡시벤질알콜
2-Methoxybenzyl alcohol
기본 정보
- CAS
1331-81-3- 표준 SMILES
COc1ccccc1CO- InChIKey
WYLYBQSHRJMURN-UHFFFAOYSA-N- 분자식
- C8H10O2
- 평균 분자량
- 138.16 g/mol
- 단동위원소 질량
- 138.06807956
이름 및 식별자
- 우선 이름
- 2-Methoxybenzyl alcohol
- IUPAC
- (2-methoxyphenyl)methanol
- 현지명
- 메톡시벤질알콜
- 영어명
- 2-Methoxybenzyl alcohol
- 분자식
- C8H10O2
- 분자량
- 138.16
이름 및 동의어
2-Methoxybenzyl alcohol(2-Methoxyphenyl)methanol612-16-8o-Anisyl alcoholBenzenemethanol, 2-methoxy-o-Methoxybenzyl alcohol2-MethoxybenzenemethanolMFCD000046112-methoxy-benzylalcohol2-Methoxy benzyl alcoholEINECS 215-561-9NSC-66558
이름 더 보기
2-메톡시벤질알코올메톡시벤질알콜2-메톡시벤질 알코올o-Anisalcohol2-ANISE ALCOHOLO-ANISE ALCOHOL2-ANISIC ALCOHOL2-ANISYL ALCOHOLAKOS BBS-00004611RARECHEM AL BD 0022
UNII-NT090XT6TE(2-methoxyphenyl)-methanol457NQ8NGCG(2-Methoxy-phenyl)-methanolAI3-05521BENZYL ALCOHOL, O-METHOXY-NSC66558AKOS000120315
데이터베이스 식별자
- CAS
1331-81-3、612-16-8- PubChem CID
- 69154
- DTXSID
DTXSID4060606- UNII
- 457NQ8NGCG
- EC Number
- 210-296-5、215-561-9
- Nikkaji
- J11.545B
물성
구조 계산 물성
- XLogP
- 1.1
- 극성 표면적
- 29.5 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 10
- 형식 전하
- 0
- 복잡도
- 93.3
실험 및 물리화학적 성질
Chemical ClassesOther Classes -> Other Aromatic Compounds
SpringerMaterials PropertiesDiamagnetic susceptibility
FragrancesFragrance Ingredient (Anisyl alcohol (o-,m-,p-)) -> IFRA transparency List
LogP1.13
Vapor Pressure0.00429 [mmHg]
Physical DescriptionClear orange to light orange-brown liquid; [Acros Organics MSDS]
물리화학적 성질
- 녹는점
- 85 · 85-86 °C
- 끓는 점
- 250 °C · 250 °C
- 밀도
- 1.12 · 1.12
- 증기압
- 0.572 Pa · 0.572Pa at 25℃
- 굴절률
- 1.55 · 1.55
- 인화점
- 128 °C · 128 °C
- 저장 조건
- Sealed in dry,Room Temperature
- 산도 계수 (pKa)
- 14.43 · 14.43±0.10(Predicted)
- 물리적 상태
- clear liquid
- 색상
- Colorless to Light yellow to Light orange
- 냄새
- 아니스 냄새
- 수용성
- 물에 섞이거나 혼합하기 어렵지 않습니다. 에탄올에 용해됩니다.
- BRN
- 2043673 · 2043673
- InChI
- 1S/C8H10O2/c1-10-8-5-3-2-4-7(8)6-9/h2-5,9H,6H2,1H3
- InChIKey
- WYLYBQSHRJMURN-UHFFFAOYSA-N
- SMILES
- COc1ccccc1CO
- LogP
- 1.13 · 1.13
- NIST
- 2 · 2-Methoxybenzyl alcohol(612-16-8)
- EPA
- 2 · Benzenemethanol, 2-methoxy- (612-16-8)
화학적 성질
Colorless to light yellow liquid.
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P272, P280, P301+P317, P302+P352, P305+P354+P338, P317, P321, P330, P333+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 127 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Warning
H302 (98.3%): Harmful if swallowed [Warning Acute toxicity, oral]
유해성 정보
Regulatory Information
Chemical: Benzenemethanol, 2-methoxy-
Status: Cease Manufacture Update: 21-12-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/21644
Benzenemethanol, 2-methoxy-: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryAn irritant; Harmful by ingestion; [Acros Organics MSDS] See 2,5-Dimethoxybenzyl alcohol. See Benzyl alcohol. See 1,3-Dimethoxybenzene and Anisole.
Hazard Classes and Categories
Acute Tox. 4 (98.3%)
Acute Tox. 4 (100%)
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- HS 번호
- 2909499000
- risk_code
- 36/37/38-22
- hazard_code
- Xn,Xi
- safety_code
- 23-24/25-37/39-26-36
- F 고인화성물질
- 9-23
- 위험 참고 사항
- Irritant
- 스토리지 클래스
- 10 - Combustible liquids
화학 및 산업
용도 및 제조
Use ClassificationFragrance Ingredients
General Manufacturing InformationBenzenemethanol, 2-methoxy-: ACTIVE
응용 분야
용도It is an important raw material and intermediate used in Organic Synthesis, Pharmaceuticals, Agrochemicals.
제조 방법
Synthesis of 2-Methoxybenzyl Alcohol: Under an inert nitrogen (N₂) atmosphere, after dehydration and deoxygenation, 2-methoxybenzoic acid (76.2 mg, 0.5 mmol) was added to the reaction flask, followed by the addition of liquid borane (290 μL, 2 mmol). The reaction was carried out at room temperature for 12 hours. After completion, the mixture was removed from the glovebox, and trimethoxybenzene (84.23 mg, 0.5 mmol) was added as an internal standard. The mixture was dissolved in CDCl₃, stirred for 10 minutes, and then sampled for nuclear magnetic resonance (NMR) analysis. The yield was calculated to be 99%.
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