Basic information
- CAS
3233-32-7- Standard SMILES
CC(=O)Oc1ccc(O)cc1- InChIKey
HBMCQTHGYMTCOF-UHFFFAOYSA-N- Molecular formula
- C8H8O3
- Average molar mass
- 152.15 g/mol
- Monoisotopic mass
- 152.04734411
Overview
4-hydroxyphenyl acetate is a phenyl acetate obtained by formal condensation of the carboxy group of acetic acid with one of the hydroxy groups of hydroquinone. It has a role as a mouse metabolite. It is a member of phenyl acetates and an acetate ester. It is functionally related to a hydroquinone.
Names & identifiers
- Preferred name
- 4-Hydroxyphenyl acetate
- IUPAC
- (4-hydroxyphenyl) acetate
- English name
- 4-hydroxyphenyl acetate
- Molecular formula
- C8H8O3
- Molecular weight
- 152.15
Names & synonyms
4-Acetoxyphenol4-Hydroxyphenyl acetate3233-32-7(4-hydroxyphenyl) acetate1,4-Benzenediol, monoacetate6GIM3882KVCHEBI:31128DTXSID70186062RefChem:912602DTXCID80108553844-197-94-Hydroxyphenylacetate
Show more names
1-acetateFenbendazole Impurity 51,4-Benzenediol, 1-acetate(4-hydroxyphenyl) ethanoate
CHEBI:48999hydroquinone monoacetateMFCD00799234NSC-478994-acetyloxyphenolHydroquinone 1-acetateAcetic acid 4-hydroxyphenylUNII-6GIM3882KV
Database identifiers
- CAS
3233-32-7- PubChem CID
- 96009
- DTXSID
DTXSID70186062- ChEMBL
CHEMBL3039093- ChEBI
CHEBI:31128- UNII
- 6GIM3882KV
- EC Number
- 844-197-9
- Nikkaji
- J83.249I
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 136
Experimental & physicochemical properties
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
Collision Cross Section126.02 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
Physicochemical properties
- Melting point
- 62 · 62-63 °C
- Boiling point
- 269.3 · 269.3±23.0 °C(Predicted)
- Density
- 1.212 · 1.212±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · -20°C Freezer, Under inert atmosphere
- solubility
- Chloroform (Sparingly), Methanol (Slightly)
- form
- Solid
- pka
- 9.55 · 9.55±0.26(Predicted)
- color
- Off-White to Pale Beige
- InChI
- InChI=1S/C8H8O3/c1-6(9)11-8-4-2-7(10)3-5-8/h2-5,10H,1H3
- InChIKey
- HBMCQTHGYMTCOF-UHFFFAOYSA-N
- SMILES
- C1(OC(=O)C)=CC=C(O)C=C1
- FDA UNII
- 6 GIM3882KV · 6GIM3882KV
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 280 · P280-P305+P351+P338
- HS Code
- 2918290090 · 2918290090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (75%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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 4 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (75%)
Safety data
- hs_code
- 2918290090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
Uses4-Acetoxyphenol is a differential urinary metabolite related with severity of major depressive disorder.
Upstream & downstream products
Downstream products
Suppliers81 total
上海康恩博医药科技有限公司（科小研试剂）400-1388-521 17510465506 · [email protected]
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
河南赢创生物科技有限公司16650615803 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
浙江金诺和药业有限公司+86-571-56950601; +86-19857958369 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
烟台盛凯伦生物制品有限公司13356901049 · [email protected]
上海相辉医药科技有限公司13761987713; 13761987713 · [email protected]
銳迪國際科技有限公司18024082417 · [email protected]
Pure Chemistry Scientific Inc.001-857-928-2050 or 1-888-588-9418 · [email protected]
Zhejiang J&C Biological Technology Co.,Limited+1-2135480471 · [email protected]
NANJING YINGWEN BIOTECHNOLOGY CO LTD+8613382787392 · [email protected]
吉林中科研伸科技有限公司18143011203 · [email protected]
Aceschem Inc.+1-817863-6948 +1-（817）863-6948 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
陕西缔都医药化工有限公司+86-029-81138252 +86-173 9270 1263 · [email protected]
上海麦克林生化科技股份有限公司15221275939 15221275939 · [email protected]
天津荣燊化工有限公司18317763565; 18317763565 · [email protected]
深圳振强药物研发有限公司+86-0755-66853366 +86-13670046396 · [email protected]
湖州清硫硅生物科技有限公司13626726938 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
杭州安凯生物医药有限公司+86-0571-28186870; +undefined8613073685410 · [email protected]
北京建强伟业科技有限公司（FUSION弗珍试剂品牌）0531-88924771 15614660963 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]
北京汇科盈生物科技有限公司15210661751 · [email protected]
安阳鸿蒙新材料有限公司19588588067 · [email protected]
艾吉析科技（上海）有限公司17717235263 17717235263 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
北京伊万景瑞生物科技有限公司15866847540 · [email protected]
风咏生物（AbMole）021-10000000 13000000000 · [email protected]
嘉兴市浙嘉生物科技有限公司0573-85609002 · [email protected]
安阳鸿蒙新材料有限公司0372-19588588067 19588588067 · [email protected]
南通市苏北化工原料有限公司0513-85290972 18762756250 · [email protected]
上海炎泽化工有限公司15345144255 19901447308 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
天水屹垚化学有限公司0938-0938-8493022 15379872136 · [email protected]
烟台盛凯伦化学科技有限公司13356901049 · [email protected]
威尔曼医药集团有限公司15807197853 18971451745 · [email protected]
浙江金诺和药业有限公司0571-56950601,56950602 15957107654 · [email protected]
Shanghai Acmec Biochemical Technology Co., Ltd.+86-18621343501 · [email protected]
巴师傅（上海）生物医药科技有限公司60662071 18117346937 · [email protected]
湖州澄博生物科技有限公司13626726938
药明览博(武汉)化学科技有限公司022-59987777 13552403979 · [email protected]
Shanghai Daken Advanced Materials Co.,Ltd+86-2158073036 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 13913916777 · [email protected]
Additional notes
DefinitionChEBI: 4-hydroxyphenyl acetate is a phenyl acetate obtained by formal condensation of the carboxy group of acetic acid with one of the hydroxy groups of hydroquinone. It has a role as a mouse metabolite. It is an acetate ester and a member of phenyl acetates. It is functionally related to a hydroquinone.
Related reactions
7 records
Compound notes
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