Basic information
- CAS
614-14-2- Standard SMILES
CCCC(O)c1ccccc1- InChIKey
HQRWWHIETAKIMO-UHFFFAOYSA-N- Molecular formula
- C10H14O
- Average molar mass
- 150.22 g/mol
- Monoisotopic mass
- 150.10446507
Overview
See also: 1-Phenylbutan-1-ol (annotation moved to).
Names & identifiers
- Preferred name
- 1-Phenyl-1-butanol
- IUPAC
- 1-phenylbutan-1-ol
- English name
- 1-Phenyl-1-butanol
- Molecular formula
- C10H14O
- Molecular weight
- 150.22
Names & synonyms
1-Phenyl-1-butanol614-14-2MFCD00066173alpha-Propylbenzyl Alcohol1-Phenylbutanol, (+/-)-1-phenylbutanolBenzenemethanol, .alpha.-propyl-NSC48871-phenyl- 1 -butanolNSC-4887(+/-)-1-phenylbutanolBenzenemethanol, aplha-propyl-
Show more names
1-phenylbutan-1-olAURORA KA-69461-phenyl-1-butylol1-Phenyl-1-butanol>1-Phenylbutyl alcoholA-PROPYLBENZYL ALCOHOLα-Propylbenzyl alcohol
6E05182617NSC 406592NSC-406592(+/-)-.ALPHA.-PROPYLBENZYL ALCOHOLP1682Z3352447041-Phenyl-butan-1-ol1-Butanol, 1-phenyl
Database identifiers
- CAS
614-14-2- PubChem CID
- 95372
- DTXSID
DTXSID901316124- UNII
- 6E05182617
- Nikkaji
- J163.732K
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 95
Physicochemical properties
- Melting point
- 16 °C · 16 °C
- Boiling point
- 170 °C/100 · 170 °C/100 mmHg
- Density
- 0.98 · 0.98
- refractive index
- 1.51 · 1.51
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- DCM, Methanol
- form
- clear liquid
- color
- Colorless to Almost colorless
- FDA UNII
- 6 E05182617 · 6E05182617
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 233 · P233-P260-P261-P264-P271-P280-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501
- HS Code
- 2906290090 · 2906290090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2906290090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P233-P260-P261-P264-P271-P280-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501
Chemistry & industry
Applications
Uses1-Phenyl-1-butanol is an intermediate in the synthesis of (E)-1-Phenyl-1-butene (P319495), a compound used to study olefin oxidation by cytochrome P-450.
Upstream & downstream products
Downstream products
Suppliers42 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海弘顺生物科技有限公司15901914505 · [email protected]
上海康恩博科技有限公司（科小研试剂）400-1388-521 17673770086 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海泰坦科技股份有限公司4006009262 13023226327 · [email protected]
Related reactions
6 records
Compound notes
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