Basic information
- CAS
5333-40-4- Standard SMILES
Cc1ccc(C(C)C)c(OCC(=O)O)c1- InChIKey
MURZAHIYMVFXCF-UHFFFAOYSA-N- Molecular formula
- C12H16O3
- Average molar mass
- 208.25 g/mol
- Monoisotopic mass
- 208.10994437
Overview
2-(2-Isopropyl-5-methylphenoxy)acetic acid is an organic molecular entity. It is functionally related to a phenoxyacetic acid.
Names & identifiers
- Preferred name
- (2-Isopropyl-5-methylphenoxy)acetic Acid
- IUPAC
- 2-(5-methyl-2-propan-2-ylphenoxy)acetic acid
- English name
- (2-Isopropyl-5-methylphenoxy)acetic acid
- Molecular formula
- C12H16O3
- Molecular weight
- 208.25
Names & synonyms
(2-ISOPROPYL-5-METHYLPHENOXY)ACETIC ACIDRefChem:395947654-490-12-(2-isopropyl-5-methylphenoxy)acetic acid5333-40-42-(5-methyl-2-propan-2-ylphenoxy)acetic acidMFCD00021757NSC2403Cambridge id 7159940Acetic acid, [5-methyl-2-(1-methylethyl)phenoxy]-2-(2-Isopropyl-5-methylphenoxy)aceticAcidSCHEMBL1979911
Show more names
THYMOXYACETIC AXCID2-(5-methyl-2-propan-2-yl-phenoxy)ethanoic acidAcetic acid, 2-[5-methyl-2-(1-methylethyl)phenoxy]-(2-isopropyl-5-methylphenoxy)acetic acid(SALTDATA: FREE)
[5-methyl-2-(propan-2-yl)phenoxy]acetic acidNSC-2403BBL014295AKOS000104767I10142-(2-Isopropyl-5-methyl-phenoxy)acetic acidthymoxyacetic acidAG-205/03636036
Database identifiers
- CAS
5333-40-4- PubChem CID
- 220116
- DTXSID
DTXSID40277456- ChEBI
CHEBI:229531- EC Number
- 654-490-1
- Nikkaji
- J1.471.245C
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 213
Physicochemical properties
- Melting point
- 149 to · 149.0 to 153.0 °C
- Boiling point
- 211 °C · 211 °C
- Density
- 1.09 · 1.090±0.06 g/cm3(Predicted)
- storage temp.
- Store at room temperature
- solubility
- soluble in Methanol
- form
- powder to crystal
- pka
- 3.23 · 3.23±0.10(Predicted)
- color
- White to Orange to Green
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- HS Code
- 2918.99 · 2918.99.4700
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 (97.6%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 41 reports by companies from 3 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (97.6%)
Safety data
- hs_code
- 2918.99.4700
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
Uses(2-Isopropyl-5-methylphenoxy)acetic acid
Upstream & downstream products
Downstream products
Suppliers38 total
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
上海仲因实业有限公司2537653158 16621191650 · [email protected]
山东利腾生物科技有限公司+86-18663721413 +86-15552573001 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
菏泽博纳医药科技有限公司15865805009 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
上海裕兰生物科技有限公司021-57171705 13817537615 · [email protected]
杭州噻伏新材料科技有限公司0571-86113725 15372021306 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
Accela ChemBio Inc.+1(858) 699-3322 · [email protected]
郑州康弗辰医药科技有限公司18210788515; 18210788515 · [email protected]
北京汇科盈生物科技有限公司15210661751 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
上海麦克林生化科技股份有限公司50706066 15221275939 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
聿锦（天津）科技有限公司13370351217 kungfu1217@1 · [email protected]
济南利恒生物科技有限公司0531-18763987518 18763987518 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386, 800-988-0390 · [email protected]
TCI Chemicals (India) Pvt. Ltd.[email protected]
Aladdin Scientific[email protected]
常州千艾生物科技有限公司051915240519135 13961152745 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
ANHUI WITOP BIOTECH CO., LTD+8618071025641 · [email protected]
郑州汇聚化工有限公司037155153829 18003835034 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
上海迈瑞尔生化科技有限公司18621169109 · [email protected]
上海捷世凯生物科技有限公司021-57520305 13795461237 · [email protected]
上海研邦医药科技有限公司15618536883 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
上海语锌医药科技有限公司15921286451; 15921286451 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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