3-Methylbenzyl alcohol (HCID 11476)

이름 및 식별자

우선 이름: 3-Methylbenzyl alcohol
IUPAC: (3-methylphenyl)methanol
현지명: 메틸(3-벤질)알코올
영어명: 3-Methylbenzyl alcohol
분자식: C8H10O
분자량: 122.16

이름 및 동의어

3-METHYLBENZYL ALCOHOL587-03-1m-tolylmethanol(3-Methylphenyl)methanolm-Tolyl carbinolm-METHYLBENZYL ALCOHOLTTG38P37U63-methyl-benzenemethanolDTXSID4039497NSC-9397CHEBI:279953-MBA

이름 더 보기

3-메틸벤질알코올메틸(3-벤질)알코올3-메틸벤질 알코올3-methylbenzyl3-TOLYLCARBINOLRARECHEM AL BD 0073Meclizine Impurity 5ALPHA-HYDROXY-M-XYLENE

RefChem:504149DTXCID2019497209-595-3Benzenemethanol, 3-methyl-3-Methylbenzenemethanol3-methylbenzylalcoholm-TolualcoholMFCD00004646

데이터베이스 식별자

CAS: 587-03-1
PubChem CID: 11476
DTXSID: DTXSID4039497
ChEBI: CHEBI:27995
UNII: TTG38P37U6
EC Number: 209-595-3
Nikkaji: J134.611C

물성

구조 계산 물성

XLogP: 1.6
극성 표면적: 20.2 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 1
무거운 원자 수: 9
형식 전하: 0
복잡도: 80

실험 및 물리화학적 성질

Vapor Pressure0.01 [mmHg]

Physical DescriptionColorless liquid; [Alfa Aesar MSDS]

Kovats Retention Index1104.2

물리화학적 성질

녹는점: -20 °C · <-20 °C
끓는 점: 215 °C740 · 215 °C740 mm Hg(lit.)
밀도: 1.015 g/mL · 1.015 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.534(lit.)
인화점: 222 °F · 222 °F
저장 조건: Store at room temperature
산도 계수 (pKa): 14.63 · 14.63±0.10(Predicted)
물리적 상태: 투명한 액체
색상: 무색 내지 거의 무색
Specific Gravity: 1.02 · 1.02
BRN: 2324516 · 2324516
Henry's Law Constant: 2.2 · 2.2×101 mol/(m3Pa) at 25℃, Wang et al. (2017)
InChI: InChI=1S/C8H10O/c1-7-3-2-4-8(5-7)6-9/h2-5,9H,6H2,1H3
InChIKey: JJCKHVUTVOPLBV-UHFFFAOYSA-N
SMILES: C1(CO)=CC=CC(C)=C1
LogP: 1.6 · 1.600
NIST: 3 · 3-Methylbenzyl alcohol(587-03-1)

화학적 성질

CLEAR COLOURLESS LIQUID

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (14.3%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (28.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 7 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；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.

유해성 정보

Hazards SummaryCauses other changes to lungs, thorax in acute inhalation studies of rats; [RTECS] A skin and strong eye irritant; [Alfa Aesar MSDS] See Benzyl alcohol.

Hazard Classes and CategoriesAcute Tox. 4 (14.3%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (28.6%)

독성 정보

Adverse EffectsNeurotoxin - Acute solvent syndrome

안전 데이터

wgk: 3
HS 번호: 29062990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 37/39-26-24/25
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

약리 정보

Metabolism/Metabolites3-Methylbenzylalcohol is a known human metabolite of m-xylene.

응용 분야

용도3-Methylbenzyl Alcohol is useful for the synthesis of dialkyl aryl phosphates and dialkyl arylalkyl phosphates which possesses inhibitory activities against acetylcholinesterase (AChE) and butyrylchlorinesterase (BChE).

일반 설명3-Methylbenzyl alcohol participates in gas phase hydrogenation of methanolic solutions of isophthaldehyde over a Ni/SiO2 catalyst.

상·하류 제품 정보

상류 원료

3-(클로로메틸)벤질알코올

하류 제품

메타-톨루일산 알파-브로모-메타-크실렌 클로로메타크실렌 3-(3-메틸페닐)프로피오페논 2-(3-methylphenyl)quinazolin-4-ol

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]

上海利卡斯实业有限公司19821976800 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]

郑州阿尔法化工有限公司+86-18530059196 · [email protected]

추가 설명

정의ChEBI: 3-methylbenzyl alcohol is a methylbenzyl alcohol that is toluene in which one of the meta hydrogens has been replaced by a hydroxymethyl group. It is a primary alcohol and a methylbenzyl alcohol.