Basic information
- CAS
37617-03-1- Standard SMILES
CCCCCCCCC=CCO- InChIKey
SKBIQKQBLQHOSU-UHFFFAOYSA-N- Molecular formula
- C11H22O
- Average molar mass
- 170.29 g/mol
- Monoisotopic mass
- 170.16706532
Names & identifiers
- Preferred name
- Undec-2-enol
- IUPAC
- undec-2-en-1-ol
- English name
- TRANS-2-UNDECEN-1-OL
- Molecular formula
- C11H22O
- Molecular weight
- 170.29
Names & synonyms
Undec-2-enolundec-2-en-1-olRefChem:9010092-undecene-1-olSCHEMBL295522SCHEMBL7296767DB-049150NS00088432Ai3-34386Undecenol2-Undecen-1-olEinecs 253-569-4
Show more names
trans-2-UndecenolTRANS-2-UNDECEN-1-OL1-HYDROXY-2-UNDECENEtrans-2-UNDECEN-1-OLFCCCONTAINS:2-UNDECEN-1-OL
Database identifiers
- CAS
37617-03-1- PubChem CID
- 61968
- DTXSID
DTXSID3068041- EC Number
- 253-569-4
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 8
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 97.2
Experimental & physicochemical properties
Density0.838-0.848
Flavoring AgentsEU Flavoring substances
Solubility
Soluble in most fixed oils; Insoluble in water
Soluble (in ethanol)
Boiling Point100-102 °C (2 mm Hg)
Refractive Index1.447-1.453
Physical DescriptionWhite to slightly yellow liquid; Fruity, fatty aroma
Physicochemical properties
- Melting point
- 13.3 °C · 13.3°C (estimate)
- Boiling point
- 150 °C · 150 °C / 5mmHg
- Density
- 0.85 · 0.85
- FLAVIS Number
- 2.21 · 02.210 | Undec-2-en-1-ol
- refractive index
- 1.4497 · 1.4497 (estimate)
- FEMA
- 4068 · 4068 | 2-UNDECEN-1-OL
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 70.1% (89 of 127) of all reports.
Warning
H319 (29.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P273, P280, P305+P351+P338, P337+P317, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 127 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationCommission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Hazard Classes and CategoriesEye Irrit. 2 (29.9%)
Safety data
- tsca
- TSCA listed
- risk_code
- 36-50
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS09
- hazard_code
- Xi
- safety_code
- 61
- Hazard statements
- H410-H319
- Precautionary statements
- P273-P391-P501-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Uses & manufacturing
Use ClassificationFlavoring Agents -> JECFA Flavorings Index
Applications
OccurrenceReportedly present in shrimp (cooked).
UsesTrans-2-Undecen-1-ol performs very well with Bergamot and the new Mentha Citrata (Todd) N0.664 oils, and with the alifatic aldehydes in topnote compositions, where it may extend the “lifting” effect further into the heart of the fragrance.
Preparation methods
PreparationPrepared from 2-undecyl-1-ol, quinoline and Lindlar catalyst by hydrogenation.
Upstream & downstream products
Upstream raw materials
Suppliers15 total
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]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海相辉医药科技有限公司13761987713; 13761987713 · [email protected]
Related reactions
4 records
Compound notes
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