Basic information
- CAS
2173-56-0- Standard SMILES
CCCCCOC(=O)CCCC- InChIKey
FGPPDYNPZTUNIU-UHFFFAOYSA-N- Molecular formula
- C10H20O2
- Average molar mass
- 172.26 g/mol
- Monoisotopic mass
- 172.14632988
Overview
pentyl valerate has been reported in Nepeta nepetella, Chrysanthemum morifolium, and Valeriana officinalis with data available.
Names & identifiers
- Preferred name
- Pentyl valerate
- IUPAC
- pentyl pentanoate
- English name
- PENTYL VALERATE
- Molecular formula
- C10H20O2
- Molecular weight
- 172.26
Names & synonyms
Pentyl valeratePentyl pentanoate2173-56-0Amyl valerateValeric Acid Pentyl EsterDTXSID8042218N-Amyl N-valerateEINECS 218-528-7NSC-76414694D4BU139BRN 1754427Pentyl ester of pentanoic acid
Show more names
Amyl valerianaten-Pentyl pentanoateN-PentylNSC 76414PentylvaleratAmylvalerianatN-AMYL VALERATE
AI3-01269DTXCID6022218UNII-694D4BU1394-02-00-00872 (Beilstein Handbook Reference)Pentyl pentanoic acidRefChem:171522218-528-7FGPPDYNPZTUNIU-UHFFFAOYSA-N
Database identifiers
- CAS
2173-56-0- PubChem CID
- 62433
- DTXSID
DTXSID8042218- ChEMBL
CHEMBL3187606- UNII
- 694D4BU139
- EC Number
- 218-528-7
- Nikkaji
- J102.391H
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 8
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 110
Experimental & physicochemical properties
SpringerMaterials PropertiesDensity
FragrancesFragrance Ingredient (Amyl valerate) -> IFRA transparency List
Flavoring AgentsEU Flavoring substances
Physical DescriptionLiquid
Physicochemical properties
- Melting point
- -78.8 °C · -78.8°C
- Boiling point
- 201 · 201-203 °C(lit.)
- Density
- 0.865 g/mL · 0.865 g/mL at 20 °C(lit.)
- refractive index
- 20 · n20/D 1.417
- FLAVIS Number
- 9.149 · 09.149 | Pentyl valerate
- Flash point
- 81 °C · 81 °C
- form
- clear liquid
- color
- Colorless to Almost colorless
- Odor
- 100 % · at 100.00 %. ripe fruity apple
- Odor Type
- fruity
- BRN
- 1754427 · 1754427
- Cosmetics Ingredients Functions
- PERFUMING
- InChI
- 1S/C10H20O2/c1-3-5-7-9-12-10(11)8-6-4-2/h3-9H2,1-2H3
- InChIKey
- FGPPDYNPZTUNIU-UHFFFAOYSA-N
- SMILES
- CCCCCOC(=O)CCCC
- LogP
- 4.6 at · 4.6 at 20℃ and pH7
- CAS DataBase Reference
- 2173 · 2173-56-0(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 694 D4BU139 · 694D4BU139
- EPA Substance Registry System
- n-Pentyl valerate (2173-56-0)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- Safety Statements
- 23 · 23-24/25
- WGK Germany
- 2 · 2
- RTECS
- 4250000 · SA4250000
- TSCA
- TSCA listed
- HS Code
- 29156000 · 29156000
- Storage Class
- 10 · 10 - Combustible liquids
- REACH Registrations
- Active
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 90.7% (245 of 270) of all reports.
Not Classified
Aggregated GHS information provided per 270 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: Pentanoic acid, pentyl ester
Pentanoic acid, pentyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Pentanoic acid, pentyl ester are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
REACH registered substance: Pentyl valerate (EC: 218-528-7)
Pentanoic acid, pentyl ester: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - Pentanoic acid, pentyl ester: Environment tier I assessment
Hazard Classes and CategoriesNot Classified
Safety data
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- SA4250000
- hs_code
- 29156000
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 23-24/25
- Storage Class
- 10 - Combustible liquids
- Hazard statements
- H315
- REACH Registrations
- Active
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Uses & manufacturing
U.S. Production2022: 105,953 lb
Industry UsesIntermediate
Use ClassificationFragrance Ingredients
General Manufacturing Information
Synthetic Dye and Pigment Manufacturing
Pentanoic acid, pentyl ester: ACTIVE
Applications
UsesPENTYL VALERATE is used as a fragrance, solvent, and in the preparation of organic chemicals.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
南通润丰石油化工有限公司66017690 19952660367 · [email protected]
Hebei Zhuanglai Chemical Trading Co Ltd+86-16264648883 · [email protected]
山东泰诚生物科技有限公司18769832557 18769832557 · [email protected]
山东海舟生物工程有限公司130-0567-0367 13006570367 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
清宁生物（江苏博泉生物科技有限公司）19352250998 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
郑州鸿晟医药科技有限公司0371-55695890 15637198702 · [email protected]
武汉绿景丰华生物科技有限公司19972070065 · [email protected]
北京安司莫森技术有限公司010-82954736 13391601435 · [email protected]
Syntechem Co.,Ltd[email protected]
武汉易泰科技有限公司上海分公司18930552037 · [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]
深圳市思美泉生物科技有限公司17683743113;18038040196 · [email protected]
JINING XINHE CHEMICAL CO., LTD+8615318402391 · [email protected]
吉良化学21-62165282 · [email protected]
上海泰坦科技股份有限公司400-6009262 15618770481 · [email protected]
湖北微斯汀科技有限公司027-61182895 13367240285 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
广东大小化工有限公司1866-171603 18666171603 · [email protected]
四川库利南科技有限公司400-1166-196 18981987031 · [email protected]
ZHEJIANG JIUZHOU CHEM CO., LTD+86-0576225566889 +86-13454675544 · [email protected]；[email protected]；[email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
武汉普洛夫生物科技有限公司17612776928 · [email protected]
河南赢创生物科技有限公司15672878902 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
泰安嘉岳生物化工有限公司15318151873 13561760680 · [email protected]
上海麦克林生化科技股份有限公司15221275939 15221275939 · [email protected]
南京恰风和医药科技有限公司025-57018978 18251899859 · [email protected]
陕西晶和医药科技有限公司029-86062279 13324594253 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
九鼎化学（上海）科技有限公司4009209199 · [email protected]
常州安奈凯医药科技有限公司+86-0519-8359-8696 · [email protected]
泰安嘉岳生物化工有限公司15318151873 · [email protected]
上海玻尔化学试剂有限公司19102157732 · [email protected]
泰安市江舟生物科技有限公司1385-13854830759 13854830759 · [email protected]
韶关新润合生物科技有限公司19022763608 19022763608 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
安那莱（齐河）新材料科技有限公司18600642180（微信同） 13391601435 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
上海西格生物科技有限公司021-57810052 18930344717 · [email protected]
武汉市承天精细化工有限公司18164098996 · [email protected]
湖北齐飞医药化工有限公司027-59322506 18071128681 · [email protected]
武汉克米克生物医药技术有限公司027-13163388153 13163388153 · [email protected]
山东西亚化学有限公司4009903999 13395398332 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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