Basic information
- CAS
4826-62-4- Standard SMILES
CCCCCCCCCC=CC=O- InChIKey
SSNZFFBDIMUILS-UHFFFAOYSA-N- Molecular formula
- C12H22O
- Average molar mass
- 182.3 g/mol
- Monoisotopic mass
- 182.16706532
Overview
2-dodecenal has been reported in Aristolochia delavayi, Eryngium foetidum, and other organisms with data available.
Names & identifiers
- Preferred name
- Dodec-2-enal
- IUPAC
- dodec-2-enal
- English name
- TRANS-2-DODECENAL
- Molecular formula
- C12H22O
- Molecular weight
- 182.3
Names & synonyms
dodec-2-enalRefChem:1083941SCHEMBL29550SCHEMBL236688SSNZFFBDIMUILS-UHFFFAOYSA-NNS00012352NS000824762-DODECENALFEMA 2402T2 DODECENAL2-DODECEN-1-ALtrans-2-Dodecal
Show more names
dodec-2-en-1-al3-NONYLACROLEIN2-Dodecene-1-al(2E)-2-Dodecenal
Database identifiers
- CAS
4826-62-4- PubChem CID
- 20967
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 9
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 127
Physicochemical properties
- Melting point
- 2 °C · 2°C (estimate)
- Boiling point
- 93 °C0.5 · 93 °C0.5 mm Hg(lit.)
- Density
- 0.849 g/mL · 0.849 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.457(lit.)
- FEMA
- 2402 · 2402 | 2-DODECENAL
- FLAVIS Number
- 5.037 · 05.037 | 2-Dodecenal
- Flash point
- 230 °F · >230 °F
- storage temp.
- 0 · 0-6°C
- Odor
- 1 % · at 1.00 % in dipropylene glycol. green citrus fruity mandarin orange herbal
- Odor Type
- herbal
- JECFA Number
- 1350 · 1350
- Cosmetics Ingredients Functions
- PERFUMING
- LogP
- 4.76 · 4.76
- CAS DataBase Reference
- 4826 · 4826-62-4
- Substances Added to Food (formerly EAFUS)
- 2 · 2-DODECENAL
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
- F
- 10-23
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- JR5150000
- ridadr
- UN 1760 8/PG 3
- risk_code
- 34
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS09
- hazard_code
- C
- safety_code
- 26-36/37/39-45
- Hazard statements
- H400-H317-H319-H315
- Precautionary statements
- P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P273-P391-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Applications
OccurrenceReported found in orange peel oil, kumquat peel oil, milk (0.0006 ppm), grilled and roasted beef, cured pork, roasted peanut (0.02 to 0.11 ppm), coriander leaf and unprocessed rice. Its presence has also been reported in the essential oils of Eryngium facidum and Achasma walang Val.
UsesTrans-2-Dodecenal is a component of essential oils from Cymbocarpum anethoides and a volatile compound of virgin rapeseed oil.
Preparation methods
PreparationBy condensation of acetaldehyde with decanal; also from α-bromolauric acid by way of the ethyl ester and alcohol.
Suppliers23 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
郑州汇聚化工有限公司13393710386 · [email protected]
清宁生物（江苏博泉生物科技有限公司）王 19352250998 13160238781 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
吉良化学21-62165282 · [email protected]
玛雅试剂+86 (573) 82222445 (0)18006601000 452520369 · [email protected]
九鼎化学（上海）科技有限公司4009209199 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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