메톡시벤질알콜

2-Methoxybenzyl alcohol

HCID 69154CAS 1331-81-3
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기본 정보

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

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
248 · 248-250 °C(lit.)
밀도
1.039 g/mL · 1.039 g/mL at 25 °C(lit.)
증기압
0.572 Pa · 0.572Pa at 25℃
굴절률
20 · n20/D 1.547(lit.)
인화점
230 °F · >230 °F

화학적 성질

Colorless to light yellow liquid.

안전 및 규제

GHS 분류

GHS Classification · 6건

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 · 3건

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 · 2건

Acute Tox. 4 (98.3%)

Acute Tox. 4 (100%)

안전 데이터

wgk
3
tsca
TSCA listed
HS 번호
29094990
risk_code
36/37/38-22
hazard_code
Xn,Xi
safety_code
23-24/25-37/39-26-36

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 · 1건

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%.

상·하류 제품 정보

공급사50 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
河南多贝化工有限公司0370-6999054 17550096163 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]

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