4-[(ジメチルアミノ)メチル]フェノール

4-((Dimethylamino)methyl)phenol

HCID 32895
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基本情報

CAS
103-87-7
標準SMILES
CN(C)Cc1ccc(O)cc1
InChIKey
NFVPEIKDMMISQO-UHFFFAOYSA-N
分子式
C9H13NO
平均分子量
151.21 g/mol
単同位体質量
151.09971404

名称と識別子

優先名称
4-((Dimethylamino)methyl)phenol
IUPAC
4-[(dimethylamino)methyl]phenol
現地名
4-[(ジメチルアミノ)メチル]フェノール
英語名
alpha-dimethylamino-p-cresol
分子式
C9H13NO
分子量
151.21

名称と別名

4-[(dimethylamino)methyl]phenol103-87-74-((Dimethylamino)methyl)phenolUNII-XA8M8AIM6TXA8M8AIM6TPhenol, 4-((dimethylamino)methyl)-Phenol, 4-[(dimethylamino)methyl]-EINECS 203-153-3DTXSID9041495P-((DIMETHYLAMINO)METHYL)PHENOL.ALPHA.-(DIMETHYLAMINO)-P-CRESOL4-HYDROXYBENZYL-N,N-DIMETHYLAMINE
名称をさらに表示
4-(ジメチルアミノメチル)フェノール4-[(ジメチルアミノ)メチル]フェノール4-(Dimethylaminomethyl)-phenol
P-CRESOL, .ALPHA.-(DIMETHYLAMINO)-RefChem:96884DTXCID7021495ALPHA-(DIMETHYLAMINO)-P-CRESOLP-CRESOL, ALPHA-(DIMETHYLAMINO)-203-153-325338-55-0alpha-Dimethylamino-p-cresol

データベース識別子

CAS
103-87-7、25338-55-0
PubChem CID
32895
DTXSID
DTXSID9041495
UNII
XA8M8AIM6T
EC Number
203-153-3、246-866-5
Nikkaji
J141.522K

物性

構造計算による物性

XLogP
1
極性表面積
23.5 Ų
水素結合供与体数
1
水素結合受容体数
2
回転可能結合数
2
重原子数
11

実験および物理化学的性質

Chemical ClassesNitrogen Compounds -> Other Aromatics (Nitrogen)
Physical DescriptionLiquid; [Sigma-Aldrich MSDS]

物理化学的性質

融点
112 °C · 112 °C
沸点
105 · 105-106 °C(Press: 18 Torr)
比重(密度)
1.046 · 1.046±0.06 g/cm3(Predicted)
貯蔵温度
2 · 2-8°C, protect from light
酸解離定数(Pka)
8.97 · 8.97±0.26(Predicted)
EPAの化学物質情報
4 · 4-((Dimethylamino)methyl)phenol (103-87-7)

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H302 (30.3%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 218 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory Information · 5 件

Chemical: Phenol, 4-[(dimethylamino)methyl]-

Chemical: Phenol, [(dimethylamino)methyl]-

Phenol, [(dimethylamino)methyl]- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Phenol, [(dimethylamino)methyl]- 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)

Status: Active Update: 28-07-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/28405

Phenol, (dimethylamino)methyl-: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Hazards SummaryCauses burns; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; Harmful by ingestion, inhalation, and skin absorption; Targets the liver and kidney; [Sigma-Aldrich MSDS]
Hazard Classes and CategoriesAcute Tox. 4 (30.3%)

毒性情報

Adverse EffectsDermatotoxin - Skin burns.

安全データ

tsca
TSCA listed
hs_code
2922290090

化学と産業

用途と製造

UsesPermitted for use as an inert ingredient in non-food pesticide products; [EPA]
U.S. Production2022: 3,526 lb
General Manufacturing Information · 2 件

Phenol, 4-[(dimethylamino)methyl]-: INACTIVE

Phenol, [(dimethylamino)methyl]-: ACTIVE

上流・下流製品情報

サプライヤー12 社

上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
江苏艾康生物医药研发有限公司025-5885952 15955137747 · [email protected]
陕西麟邦实业有限公司17709134430 · [email protected]
山东领海生物科技有限公司15092083467 · [email protected]
北京伊万景瑞生物科技有限公司15866847540 · [email protected]

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