Basic information
- CAS
24539-57-9- Standard SMILES
CCCCCCOC(=O)c1ccccc1C(=O)O- InChIKey
XOSNGXNHDRYFEF-UHFFFAOYSA-N- Molecular formula
- C14H18O4
- Average molar mass
- 250.29 g/mol
- Monoisotopic mass
- 250.12050905
Overview
Monohexyl phthalate is a phthalic acid monoester obtained by formal condensation of one of the carboxy groups of phthalic acid with the hydroxy group of hexanol. It is functionally related to a hexan-1-ol.
Names & identifiers
- Preferred name
- Monohexyl Phthalate
- IUPAC
- 2-hexoxycarbonylbenzoic acid
- English name
- MONOHEXYL PHTHALATE
- Molecular formula
- C14H18O4
- Molecular weight
- 250.29
Names & synonyms
Monohexyl Phthalate24539-57-9Mono-n-hexyl phthalateDTXSID40947420CHEBI:132604MNHPRefChem:819314DTXCID301375679246-302-82-hexoxycarbonylbenzoic acidHexyl hydrogen phthalate2-((Hexyloxy)carbonyl)benzoic acid
Show more names
Ai3-06032Einecs 246-302-8N-HEXYLPHTHALATEmono-n-hexylphthalateMonohexylPhthalate>Hexylhydrogenphthalatmono-n-Hexyl Phthalate D4Phthalic acid 1-hexyl ester
1,2-Benzenedicarboxylic acid, monohexyl ester2-[(hexyloxy)carbonyl]benzoic acidMFCD00517703Phthalic Acid Monohexyl Ester2-(Hexyloxycarbonyl)benzoic acidmono-hexyl phthalate2-[(HEXYLOXY)CARBONYL]BENZOATEPhthalic acid mono-n-hexyl ester
Database identifiers
- CAS
24539-57-9- PubChem CID
- 90532
- DTXSID
DTXSID40947420- ChEBI
CHEBI:132604- EC Number
- 246-302-8
- Nikkaji
- J162.981F
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 275
Physicochemical properties
- Melting point
- 12 °C · 12 °C
- Boiling point
- 388.8 · 388.8±25.0 °C(Predicted)
- Density
- 1.125 · 1.125±0.06 g/cm3(Predicted)
- storage temp.
- Refrigerator
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- pka
- 3.39 · 3.39±0.36(Predicted)
- form
- Solid
- color
- Clear Colourless Oil to Off-White
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36/37/39
- HS Code
- 2917.34 · 2917.34.0150
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Regulatory Information1,2-Benzenedicarboxylic acid, monohexyl ester: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- hs_code
- 2917.34.0150
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 26-36/37/39
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Applications
UsesMonohexyl Phthalate is a phthalate ester that was used to characterize human salivary esterase in enzymatic hydrolysis.
Upstream & downstream products
Downstream products
Suppliers39 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
河南赢创生物科技有限公司16650615803 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
焦作沃恩生物科技有限责任公司0391-3702345 18739121806 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
郑州研德生物科技有限公司0371-63682289 15538176268 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
Qingdao Dexin Chemical Co., Ltd+86-15553333686 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
上海鑫圭生物科技有限公司15121041756 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
深圳振强药物研发有限公司+86-0755-66853366 +86-13670046396 · [email protected]
九鼎化学（上海）科技有限公司4009209199 · [email protected]
上海玻尔化学试剂有限公司19102157732 · [email protected]
艾吉析科技（上海）有限公司17717235263 17717235263 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
成都标样生物科技有限公司028-81700200 13308200041 · [email protected]
成都华纯科技有限公司400-1166-196 15982826727 · [email protected]
上海贤鼎生物科技有限公司021-021-52271985 17721149837 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
上海臻励生物科技有限公司021-16621358918; 18516310516;16621358918;13045646768 · [email protected]
TCI Chemicals (India) Pvt. Ltd.[email protected]
Aladdin Scientific[email protected]
广东元丰化学试剂有限公司0751-2829979 13318584237 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
郑州安慕斯化工产品有限公司15981811963 18737195735 · [email protected]
北京海特乐思克科技有限公司15210893940; 15116916250 · [email protected]
Additional notes
DefinitionChEBI: A phthalic acid monoester obtained by formal condensation of one of the carboxy groups of phthalic acid with the hydroxy group of hexanol.
Related reactions
0 records
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Compound notes
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