Basic information
- CAS
1638-22-8- Standard SMILES
CCCCc1ccc(O)cc1- InChIKey
CYYZDBDROVLTJU-UHFFFAOYSA-N- Molecular formula
- C10H14O
- Average molar mass
- 150.22 g/mol
- Monoisotopic mass
- 150.10446507
Names & identifiers
- Preferred name
- 4-Butylphenol
- IUPAC
- 4-butylphenol
- English name
- 4-Butylphenol
- Molecular formula
- C10H14O
- Molecular weight
- 150.22
Names & synonyms
4-Butylphenol4-n-Butylphenolp-ButylphenolPhenol, 4-butyl-Phenol, p-butyl-1-Hydroxy-4-n-butylbenzenep-n-ButylphenolPhenol, p-butylNSC 407848DTXSID30474251-(p-Hydroxyphenyl)butaneEINECS 216-672-5
Show more names
butylphenol4PO4-butyl-phenophenol,p-butylPhenol,p-butyl-Phenol,4-butyl-
BRN 20421204-(BUT-1-YL)PHENOLUNII-22985E4F3QAI3-22444P-(N-BUTYL)PHENOL22985E4F3QNSC-407848DTXCID1027425
Database identifiers
- CAS
1638-22-8- PubChem CID
- 15420
- DTXSID
DTXSID3047425- ChEMBL
CHEMBL152295- ChEBI
CHEBI:34437- UNII
- 22985E4F3Q
- EC Number
- 216-672-5
- Nikkaji
- J13.056G
Properties
Computed structural properties
- XLogP
- 3.4
- 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
- 93
Experimental & physicochemical properties
Kovats Retention Index
1360.6；1361.8；1364.4；1335；1386
2360
Collision Cross Section140.6 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID3047425]
Physicochemical properties
- Melting point
- 22 °C · 22°C
- Boiling point
- 138 · 138-139°C 18mm
- Density
- 0 · 0,98 g/cm3
- refractive index
- 1.517 · 1.5170
- Flash point
- 245 °C · 245°C
- storage temp.
- RT, stored under nitrogen
- pka
- 10.11 · 10.11±0.13(Predicted)
- form
- clear liquid
- color
- Colorless to Brown
- Water Solubility
- Not miscible with water.
- BRN
- 2042120 · 2042120
- InChI
- InChI=1S/C10H14O/c1-2-3-4-9-5-7-10(11)8-6-9/h5-8,11H,2-4H2,1H3
- InChIKey
- CYYZDBDROVLTJU-UHFFFAOYSA-N
- SMILES
- C1(O)=CC=C(CCCC)C=C1
- CAS DataBase Reference
- 1638 · 1638-22-8(CAS DataBase Reference)
- EWG's Food Scores
- 7 · 7-10
- FDA UNII
- 22985 E4F3Q · 22985E4F3Q
- NIST Chemistry Reference
- 4 · Phenol, 4-butyl-(1638-22-8)
- EPA Substance Registry System
- p-Butylphenol (1638-22-8)
- UNSPSC Code
- 12352200 · 12352200
- Symbol(GHS)
- 5 · GHS05,GHS07
- Signal word
- Danger
- Hazard statements
- 302 · H302+H312+H332-H314-H318
- Precautionary statements
- 260 · P260-P264-P270-P271-P280-P301+P330+P331+P310-P303+P361+P353+P310+P363-P304+P340+P310-P305+P351+P338+P310-P405-P501-P260h-P301+P330+P331-P303+P361+P353-P305+P351+P338-P501a
- Hazard Codes
- C,Xn
- Risk Statements
- 20 · 20/21/22-36/37/38-41-34-22
- Safety Statements
- 26 · 26-36/37/39-45
- RIDADR
- 3145 · 3145
- WGK Germany
- 3 · WGK 3
- RTECS
- 8922500 · SJ8922500
- TSCA
- TSCA listed
- HazardClass
- 8 · 8
- PackingGroup
- III
- HS Code
- 2907199090 · 2907199090
- Storage Class
- 8 A · 8A - Combustible corrosive hazardous materials
- Hazard Classifications
- 4 OralEye · Acute Tox. 4 OralEye Dam. 1Skin Corr. 1B
- Limited Quantities
- 5 L · 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Safety & regulation
GHS classification
GHS Classification
Danger
H302 (30.4%): Harmful if swallowed [Warning Acute toxicity, oral]；H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H318 (28.1%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
P260, P264, P264+P265, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 135 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Regulatory InformationChemical: Phenol, 4-butyl-
Other Safety InformationEvaluation - Propyl and butyl phenols
Hazard Classes and CategoriesAcute Tox. 4 (30.4%)；Skin Corr. 1B (100%)；Eye Dam. 1 (28.1%)
Regulatory information
Regulatory InformationChemical: Phenol, 4-butyl-
Safety data
- wgk
- WGK 3
- tsca
- TSCA listed
- rtecs
- SJ8922500
- ridadr
- 3145
- hs_code
- 2907199090
- risk_code
- 20/21/22-36/37/38-41-34-22
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- hazard_code
- C,Xn
- safety_code
- 26-36/37/39-45
- hazard_class
- 8
- Storage Class
- 8A - Combustible corrosive hazardous materials
- packing_group
- III
- Hazard statements
- H302+H312+H332-H314-H318
- Limited Quantities
- 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
- Hazard Classifications
- Acute Tox. 4 OralEye Dam. 1Skin Corr. 1B
- Precautionary statements
- P260-P264-P270-P271-P280-P301+P330+P331+P310-P303+P361+P353+P310+P363-P304+P340+P310-P305+P351+P338+P310-P405-P501-P260h-P301+P330+P331-P303+P361+P353-P305+P351+P338-P501a
Chemistry & industry
Pharmacology
Metabolism/Metabolites4-n-Butylphenol has known human metabolites that include (2S,3S,4S,5R)-6-(4-butylphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid.
Uses & manufacturing
Use ClassificationFragrance Ingredients
General Manufacturing InformationPhenol, 4-butyl-: ACTIVE
Applications
UsesIntermediates of Liquid Crystals
Uses4-n-Butylphenol is used as an Intermediates of liquid Crystals.
Upstream & downstream products
Downstream products
Suppliers88 total
陕西凯尔凯医药科技有限公司029-2148545164 17392779578 · [email protected]
国药集团化学试剂有限公司86-21-63210123 · [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]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
盐城通铭生物科技有限公司15195160625 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
河南多贝化工有限公司0370-6999054 17550096163 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
安徽合诺生物科技有限公司0555-2761852
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]
Guangzhou Tosun Pharmaceutical Limited+86-18124244216 +86-18124244216 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [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]
广东元丰化学试剂有限公司0751-2829979 13318593351 · [email protected]
武汉卡诺斯科技有限公司027-83238443 15327105076 · [email protected]
广东云星生物技术有限公司0751-18902340975/189023400307 18902340307 · [email protected]
上海钰康生物科技有限公司18939844854 · [email protected]
上海柯维化学技术有限公司021-64609169 18901607656 · [email protected]
安徽合诺生物科技有限公司18455579438
吉良化学21-62165282 · [email protected]
常州布克化工有限公司13606129753 13775119556 · [email protected]
北京天辰明威化工产品有限公司010-13717503750 13717503750 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
武汉卡诺斯科技有限公司153-37111468 15337111468 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
安徽科迪达化工有限公司0554-2106669 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
成都零六生物科技有限公司400-1166-196 13458535857 · [email protected]
上海鑫圭生物科技有限公司15121041756 · [email protected]
康迪斯化工（湖北）有限公司13125172151 · [email protected]
康迪斯化工(湖北)有限公司13343438265 · [email protected]
九鼎化学（上海）科技有限公司4009209199 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
厦门志信化学有限公司+86-5922680277 +86-13806087780 · [email protected]
西安乐纯化工有限责任公司029-15596886083 15596886083 · [email protected]
荆州市尹杰化工有限公司18008658728 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
湖北齐飞医药化工有限公司027-59322506 18071128681 · [email protected]
山东西亚化学有限公司4009903999 13395398332 · [email protected]
广东翁江化学试剂有限公司0751-2886750 13927877953 · [email protected]
石家庄晔晟化工科技有限公司18031147013 18031147013 · [email protected]
广州市金华大化学试剂有限公司020-84383047 · [email protected]
Additional notes
DefinitionChEBI: 4-n-Butylphenol is a member of phenols.
Related reactions
21 records
Compound notes
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