Basic information
- CAS
1740-97-2- Standard SMILES
Cc1cc(C(C)C)ccc1O- InChIKey
WYXXLXHHWYNKJF-UHFFFAOYSA-N- Molecular formula
- C10H14O
- Average molar mass
- 150.22 g/mol
- Monoisotopic mass
- 150.10446507
Overview
4-isopropyl-O-cresol has been reported in Lippia origanoides, Lippia graveolens, and Baccharis dracunculifolia with data available.
Names & identifiers
- Preferred name
- Isocarvacrol
- IUPAC
- 2-methyl-4-propan-2-ylphenol
- English name
- 4-isopropyl-m-cresol
- Molecular formula
- C10H14O
- Molecular weight
- 150.22
Names & synonyms
1740-97-24-Isopropyl-o-cresol41Y0OLM4LNDTXSID80169745IsocarvacrolRefChem:1087526DTXCID1092236217-105-44-Isopropyl-2-methylphenol2-methyl-4-propan-2-ylphenol4-Isopropyl-2-methyl-phenolPhenol, 2-methyl-4-(1-methylethyl)-
Show more names
MFCD169971632-METHYL-4-(PROPAN-2-YL)PHENOLEINECS 217-105-4UNII-41Y0OLM4LNorb3132306SCHEMBL1397101phenol, 4-isopropyl-2-methyl-SCHEMBL27554682
Database identifiers
- CAS
1740-97-2- PubChem CID
- 74446
- DTXSID
DTXSID80169745- UNII
- 41Y0OLM4LN
- Nikkaji
- J203.149C
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 120
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Melting point
- 8.6 °C · 8.6°C
- Boiling point
- 236.65 °C · 236.65°C (estimate)
- Density
- 0.9793 · 0.9793
- refractive index
- 1.5253 · 1.5253
- storage temp.
- RT, stored under nitrogen
- pka
- 10.59 · 10.59±0.18(Predicted)
- Appearance
- 8.6 °C · Light yellow to yellow 8.6°C Liquid
- FDA UNII
- 41 Y0OLM4LN · 41Y0OLM4LN
Chemistry & industry
Suppliers15 total
安徽合诺生物科技有限公司0555-2761852
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
安徽合诺生物科技有限公司18455579438
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]
上海创焰化学科技有限公司021-11111111 11111111111 · [email protected]
AN PharmaTech Co Ltd86(21)68097365 · [email protected]
上海景容化学科技有限公司021-60546673 13701861782 · [email protected]
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
ATK CHEMICAL COMPANY LIMITED+undefined-21-51877795 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Hefei Hirisun Pharmatech Co., Ltd+8615056975894 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 18917919676 · [email protected]
上海相辉医药科技有限公司13611835272 13611835272 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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