Vanillyl butyl ether - ≥96% , CAS No.82654-98-6

CAS: 82654-98-6 Cat. No.: V102750 Molecular Weight: 210.27 EC Number: 444-010-7 PubChem CID: 5084146
AVAILABLE TO ORDER
GRADE & PURITY ≥96%
Synonyms
Vanillyl butyl ether, >=96%, FG | DTXSID2072881 | DS-6375 | A840404 | SCHEMBL117401 | VANILLYL BUTYL ETHER [WHO-DD] | AKOS015839666 | Q-201922 | 4-(Butoxymethyl)-2-methoxyphenol, 9CI | BCP18949 | EN300-7380608 | Phenol, 4-(butoxymethyl)-2-methoxy- | Vanil
Storage
Room temperature
Shipped In
Normal
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
5g
V102750-5g
2

$14.90

$22.90
Save $8.00 (34.93%)
25g
V102750-25g
3

$40.90

$61.90
Save $21.00 (33.93%)
100g
V102750-100g
3

$97.90

$146.90
Save $49.00 (33.36%)
500g
V102750-500g
2

$371.90

$557.90
Save $186.00 (33.34%)
Enter a quantity for the sizes you want to add.
🧪

Why this grade

≥96% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Room temperature Ships Normal Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 6 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Overview

application:

Vanillyl Butyl Ether (4-(Butoxymethyl)-2-methoxyphenol), an ether of monohydroxybenzoic acid, is added to food products as a flavoring agent. It is also present in cosmetics and personal care products as a fragrance ingredient, oral care agent, hair conditioning agent, and warming or cooling agent.

Specifications

Synonyms
Vanillyl butyl ether, >=96%, FG | DTXSID2072881 | DS-6375 | A840404 | SCHEMBL117401 | VANILLYL BUTYL ETHER [WHO-DD] | AKOS015839666 | Q-201922 | 4-(Butoxymethyl)-2-methoxyphenol, 9CI | BCP18949 | EN300-7380608 | Phenol, 4-(butoxymethyl)-2-methoxy- | Vanil
Specifications & Purity
≥96%
Storage
Room temperature
Shipped In
Normal
Purity
≥96%
Names and Identifiers
Pubchem Sid488195087
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/488195087
Canonical SmilesCCCCOCC1=CC(=C(C=C1)O)OC
IUPAC Name4-(butoxymethyl)-2-methoxyphenol
InChIKeyVLDFMKOUUQYFGF-UHFFFAOYSA-N
INCHI1S/C12H18O3/c1-3-4-7-15-9-10-5-6-11(13)12(8-10)14-2/h5-6,8,13H,3-4,7,9H2,1-2H3
Isomeric SMILES CCCCOCC1=CC(=C(C=C1)O)OC
WGK Germany 3
PubChem CID 5084146
Molecular Weight 210.27

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassBenzenoids
ClassPhenols
SubclassMethoxyphenols
Intermediate Tree Nodes Not available
Direct ParentMethoxyphenols
Alternative Parents Benzylethers  Phenoxy compounds  Methoxybenzenes  Anisoles  Alkyl aryl ethers  1-hydroxy-2-unsubstituted benzenoids  Dialkyl ethers  Hydrocarbon derivatives  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents Methoxyphenol - Benzylether - Phenoxy compound - Methoxybenzene - Phenol ether - Anisole - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Monocyclic benzene moiety - Ether - Dialkyl ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as methoxyphenols. These are compounds containing a methoxy group attached to the benzene ring of a phenol moiety.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

8 results found

Lot NumberCertificate TypeDateItem
C23081247Certificate of AnalysisDec 01, 2022 V102750
C23081252Certificate of AnalysisDec 01, 2022 V102750
C23081353Certificate of AnalysisDec 01, 2022 V102750
C23081411Certificate of AnalysisDec 01, 2022 V102750
C23081415Certificate of AnalysisDec 01, 2022 V102750
C23081423Certificate of AnalysisDec 01, 2022 V102750
C23081438Certificate of AnalysisDec 01, 2022 V102750
H2406011Certificate of AnalysisDec 01, 2022 V102750
Chemical and Physical Properties
SensitivityAir Sensitive
Refractive Index1.516
Flash Point(°F)113 °C
Flash Point(°C)113°C
Boil Point(°C)241°C
Molecular Weight210.270 g/mol
XLogP31.800
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Exact Mass210.126 Da
Monoisotopic Mass210.126 Da
Topological Polar Surface Area38.700 Ų
Heavy Atom Count15
Formal Charge0
Complexity161.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Citations of This Product
References
1. Shaoji Wu, Caihong Gong, Zichao Wang, Sijia Xu, Wen Feng, Zhiming Qiu, Yurong Yan.  (2023)  Continuous Spinning of High-Tough Hydrogel Fibers for Flexible Electronics by Using Regional Heterogeneous Polymerization.  Advanced Science,  10  (36): (2305226).  [PMID:37888848] [10.1002/advs.202305226]
2. Zhi-Xin Li, Xian-Yong Wei, Guang-Hui Liu, Xing-Long Meng, Zheng Yang, Shuo Niu, Di Zhang, Hua-Shuai Gao, Zhi-Hao Ma, Zhi-Min Zong.  (2019)  Highly selective hydrogenation of furfural and levulinic acid over Ni0.09Zn/NC600 derived from ZIFW-8.  Molecular Catalysis,      [PMID:] [10.1016/j.mcat.2019.110651]
3. Chuanzhi Wei, Xinhui Kou, Shaofeng Liu, Zhibo Li.  (2019)  Fast, selective and metal-free ring-opening polymerization to synthesize polycarbonate/polyester copolymers with high incorporation of ethylene carbonate using an organocatalytic phosphazene base.  Polymer Chemistry,  10  (43): (5905-5912).  [PMID:] [10.1039/C9PY01319A]
4. Xueqin Zhang, Naiyu Xiao, Mingjie Chen, Yi Wei, Chuanfu Liu.  (2019)  Functional packaging films originating from hemicelluloses laurate by direct transesterification in ionic liquid.  CARBOHYDRATE POLYMERS,      [PMID:31826458] [10.1016/j.carbpol.2019.115336]
5. Na Zhao, Chuanli Ren, Yong Shen, Shaofeng Liu, Zhibo Li.  (2019)  Facile Synthesis of Aliphatic ω-Pentadecalactone Containing Diblock Copolyesters via Sequential ROP with l-Lactide, ε-Caprolactone, and δ-Valerolactone Catalyzed by Cyclic Trimeric Phosphazene Base with Inherent Tribasic Characteristics.  MACROMOLECULES,      [PMID:] [10.1021/acs.macromol.8b02690]
6. Zhitao Hu, Yi Chen, Huahua Huang, Lixin Liu, Yongming Chen.  (2018)  Well-Defined Poly(α-amino-δ-valerolactone) via Living Ring-Opening Polymerization.  MACROMOLECULES,      [PMID:] [10.1021/acs.macromol.7b02489]
Solution Calculators
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