Basic information
- CAS
608-08-2- Standard SMILES
CC(=O)Oc1c[nH]c2ccccc12- InChIKey
JBOPQACSHPPKEP-UHFFFAOYSA-N- Molecular formula
- C10H9NO2
- Average molar mass
- 175.18 g/mol
- Monoisotopic mass
- 175.06332853
Overview
Indoxyl acetate is a member of indoles.
Names & identifiers
- Preferred name
- Indoxyl acetate
- IUPAC
- 1H-indol-3-yl acetate
- English name
- INDOXYL ACETATE
- Molecular formula
- C10H9NO2
- Molecular weight
- 175.18
Names & synonyms
Indoxyl acetate3-Acetoxyindole608-08-21H-Indol-3-yl acetate3-Indoxyl acetateIndole, 3-acetato-1H-Indol-3-ol, 3-acetateIndol-3-ol, acetate (ester)Indoxylacetate1H-Indol-3-ol, acetate (ester)ACETIC ACID, 3-INDOLYL ESTERDTXSID6060559
Show more names
Y-AcetateNSC 13964Y(TM)-ACETATEIndolylacetate3-Acetoxyindol3-acetato-indol
NSC-139643AF7Z8794QRefChem:791007DTXCID9042881210-154-23-Indolyl acetateIndoxyl-O-acetateMFCD00014561
Database identifiers
- CAS
608-08-2- PubChem CID
- 11841
- DTXSID
DTXSID6060559- ChEMBL
CHEMBL2074590- ChEBI
CHEBI:169991- UNII
- 3AF7Z8794Q
- EC Number
- 210-154-2
- Nikkaji
- J16.834C
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 42.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 205
Experimental & physicochemical properties
Chemical ClassesNitrogen Compounds -> Indoles
SpringerMaterials PropertiesChemical shift
LogP2.01
Vapor Pressure0.000209 [mmHg]
Physical DescriptionCream-colored or light brown powder; [Alfa Aesar MSDS]
Physicochemical properties
- Melting point
- 128 · 128-130 °C(lit.)
- Boiling point
- 306.47 °C · 306.47°C (rough estimate)
- Density
- 1.1999 · 1.1999 (rough estimate)
- refractive index
- 1.506 · 1.5060 (estimate)
- storage temp.
- 2 · 2-8°C
- solubility
- DMSO (Slightly), Ethanol (Slightly), Methanol (Slightly)
- pka
- 15.89 · 15.89±0.30(Predicted)
- form
- Glistening Crystals
- color
- Colorless to lilac
- Water Solubility
- Soluble in ethanol, water, chloroform, dichloromethane and methanol.
- BRN
- 143086 · 143086
- InChI
- InChI=1S/C10H9NO2/c1-7(12)13-10-6-11-9-5-3-2-4-8(9)10/h2-6,11H,1H3
- InChIKey
- JBOPQACSHPPKEP-UHFFFAOYSA-N
- SMILES
- N1C2=C(C=CC=C2)C(OC(=O)C)=C1
- CAS DataBase Reference
- 608 · 608-08-2(CAS DataBase Reference)
- FDA UNII
- 3 AF7Z8794Q · 3AF7Z8794Q
- EPA Substance Registry System
- 3 · 3-Indoxyl acetate (608-08-2)
- UNSPSC Code
- 41106305 · 41106305
- NACRES
- 51 · NA.51
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P270-P301+P312-P302+P352-P305+P351+P338
- target organs
- Respiratory system
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Gloves
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22-36/37/38
- Safety Statements
- 26 · 26-36
- WGK Germany
- 3 · 3
- RTECS
- 3325000 · AI3325000
- F
- 8 · 8-10-21
- TSCA
- TSCA listed
- HS Code
- 2933 · 2933 99 80
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 4 OralEye · Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
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 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information1H-Indol-3-ol, acetate (ester): Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryIntraperitoneal LD50 (mouse) = 600 mg/kg; [RTECS] May cause irritation; [Alfa Aesar MSDS] See Indole and Indole-3-butyric acid.
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- F
- 8-10-21
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- AI3325000
- hs_code
- 2933 99 80
- risk_code
- 22-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 26-36
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H302-H315-H319-H335
- Hazard Classifications
- Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P270-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1H-Indol-3-ol, 3-acetate: ACTIVE
Applications
UsesUseful for detection of esterases3-Indoxyl acetate acts as a colorimetric substrate used for differentiating esterases from various microbiological species. Further, it is used as a plant growth-stimulating hormone and reagent. In addition to this, it acts as a useful synthetic intermediate.
UsesINDOXYL ACETATE is a useful synthetic intermediate.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
北京华美互利生物化工010-56205725 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
南京凯美西化工有限公司02558748998 18951874644 · [email protected]
INTATRADE GmbH+49 3493/605464 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
Syntechem Co.,Ltd[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
上海晶抗生物工程有限公司021-54721350 13524668266 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
浙江雅辰药物科技股份有限公司13674959855 13674959855 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
上海钰康生物科技有限公司+86-18930848214 +86-021-56762820 · [email protected]
嘉兴市艾森化工有限公司0573-85285100 18627885956 · [email protected]
上海隆盛化工有限公司58099637 13585536065 · [email protected]
郑州研德生物科技有限公司0371-63682289 15538176268 · [email protected]
武汉丰泰威远科技有限公司+86-27-8746-5837 +86-18627785180 · [email protected]
武汉丰泰威远科技有限公司027-87465837 19945049750 · [email protected]
苏州启航生物科技有限公司18662190603;18151111370 · [email protected]
常州琦诺生物科技有限公司0519-0519-83812535 · [email protected]
四川库利南科技有限公司400-1166-196 18981987031 · [email protected]
杭州莱晟生物科技有限公司13456210265 · [email protected]
斯百全化学（上海）有限公司021-021-021-67601398-809-809-809 15221380277 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
安徽实特医药科技有限公司086-21-50829787 13621628489 · [email protected]
艾科试剂4008-755-333 18080918076 · [email protected]
上海思域化工科技有限公司86-21-34053660 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
北京伊诺凯科技有限公司400-810-7969 010-59572699 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
上海湄水化工科技有限公司021-60549325 18616193163
上海将来实业股份有限公司021-61552785 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
上海洽凡生化科技有限公司+86-021-61654350 · [email protected]
南京恰风和医药科技有限公司025-57018978 18251899859 · [email protected]
上海拓目化工有限公司13391076197 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
池州凯隆进出口贸易有限公司[email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
江苏明化合晟生物科技有限公司0519-85170101 · [email protected]
上海昕凯医药科技有限公司21-619849051-1 18521059765 · [email protected]
北京诺其雅盛生物科技有限公司4000-819-385 010-62329685 13718666987
九鼎化学（上海）科技有限公司4009209199 · [email protected]
Additional notes
DefinitionChEBI: Indoxyl acetate is a member of indoles.
Related reactions
7 records
Compound notes
Loading…