Basic information
- CAS
112-45-8- Standard SMILES
C=CCCCCCCCCC=O- InChIKey
OFHHDSQXFXLTKC-UHFFFAOYSA-N- Molecular formula
- C11H20O
- Average molar mass
- 168.28 g/mol
- Monoisotopic mass
- 168.15141526
Overview
10-undecenal is an undecenal in which the C=C bond is at the 10-11 position.
Names & identifiers
- Preferred name
- 10-Undecenal
- IUPAC
- undec-10-enal
- English name
- 10-Undecenal
- Molecular formula
- C11H20O
- Molecular weight
- 168.28
Names & synonyms
10-UndecenalUndec-10-enal112-45-8Undecylenic aldehydeHendecenalUndecylenaldehyde1-Undecen-10-al10-Undecylenealdehyde10-HendecenalC-11 aldehyde, undecylenicundecylenalAldehyde C-11, undecylenic
Show more names
INTRELEVEN ALDEHYDE10-UNDECENYL ALDEHYDEFEMA 23639-UNDECENAL10-UNDECEN-1-ALintreleven aldehyde (IFF)ALDEHYDE C11 ENIC/UNDECYLENIC ALDEHYDE
FEMA No. 3095EINECS 203-973-1NSC 44900BRN 1746480DU1OTA08RYAldehyde C-11 undecylenicAI3-03940NSC-44900
Database identifiers
- CAS
112-45-8- PubChem CID
- 8187
- DTXSID
DTXSID3037757- ChEMBL
CHEMBL3185269- ChEBI
CHEBI:125536- UNII
- DU1OTA08RY
- EC Number
- 203-973-1
- Nikkaji
- J61.751B
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 9
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 108
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Fatty aldehydes [FA06]
SpringerMaterials PropertiesOptical coefficient
FragrancesFragrance Ingredient (10-Undecenal) -> IFRA transparency List
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.840-0.850
Flavoring AgentsEU Flavoring substances
Solubility
30 mg/L @ 20 °C (exp)
soluble in propylene glycol and most fixed oils; insoluble in glycerol and water
(in ethanol)
Endocrine DisruptorsPotential endocrine disrupting compound
Boiling Point
98.00 to 100.00 °C. @ 3.00 mm Hg
235 °C
Refractive Index1.441-1.447
Physical Description
Liquid
Liquid
colourless to light yellow liquid with a fatty, rose-like odour on dilution
Physicochemical properties
- Melting point
- 7 °C · 7°C
- Boiling point
- 98 · 98-100 °C3 mm Hg(lit.)
- Density
- 0.84 g/mL · 0.84 g/mL at 25 °C(lit.)
- vapor density
- 1 · >1 (vs air)
- vapor pressure
- 8.7 Pa · 8.7Pa at 25℃
- FEMA
- 3095 · 3095 | 10-UNDECENAL
- refractive index
- 20 · n20/D 1.4427(lit.)
- FLAVIS Number
- 5.035 · 05.035 | Undec-10-enal
- Flash point
- 199 °F · 199 °F
- storage temp.
- 2 · 2-8°C
- solubility
- Chloroform (Sparingly), Ethyl Acetate (Slightly)
- pka
- 0 · 0[at 20 ℃]
- form
- Crystals or Crystalline Powder
- color
- White
- Specific Gravity
- 0.84 · 0.84
- Odor
- 1 % · at 1.00 % in dipropylene glycol. waxy aldehydic rose mandarin citrus soapy fatty
- Odor Type
- aldehydic
- biological source
- synthetic
- Water Solubility
- Insoluble
- JECFA Number
- 330 · 330
- Major Application
- flavors and fragrances
- Cosmetics Ingredients Functions
- FRAGRANCEPERFUMING
- InChI
- 1S/C11H20O/c1-2-3-4-5-6-7-8-9-10-11-12/h2,11H,1,3-10H2
- InChIKey
- OFHHDSQXFXLTKC-UHFFFAOYSA-N
- SMILES
- [H]C(=O)CCCCCCCCC=C
- LogP
- 4.672 at · 4.672 at 25℃
- CAS DataBase Reference
- 112 · 112-45-8(CAS DataBase Reference)
- Substances Added to Food (formerly EAFUS)
- 10 · 10-UNDECENAL
- FDA 21 CFR
- 172.515 · 172.515
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 1 OTA08RY · DU1OTA08RY
- NIST Chemistry Reference
- 10 · 10-Undecenal(112-45-8)
- EPA Substance Registry System
- 10 · 10-Undecenal (112-45-8)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H317-H412
- Precautionary statements
- 261 · P261-P264-P272-P273-P280-P302+P352
- PPE
- Eyeshields, Gloves, multi-purpose combination respirator cartridge (US)
- Hazard Codes
- Xi
- Risk Statements
- 38 · 38-10
- Safety Statements
- 24 · 24/25-37/39-26
- RIDADR
- 1993 · NA1993
- WGK Germany
- 2 · 2
- RTECS
- 2835000 · YQ2835000
- TSCA
- TSCA listed
- HazardClass
- CBL
- HS Code
- 29121900 · 29121900
- Storage Class
- 10 · 10 - Combustible liquids
- Hazard Classifications
- 3 Skin · Aquatic Chronic 3Skin Irrit. 2Skin Sens. 1B
- Toxicity
- 50 · rabbit,LD50,skin,> 5gm/kg (5000mg/kg),Food and Cosmetics Toxicology. Vol. 11, Pg. 479, 1973.
- REACH Registrations
- Active
- Excepted Quantities
- Non-Hazardous
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (97.2%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P272, P273, P280, P302+P352, P305+P351+P338, P321, P332+P317, P333+P317, P337+P317, P362+P364, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1818 reports by companies from 17 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Warning
H227: Combustible liquid [Warning Flammable liquids]
Hazard information
Regulatory Information
Chemical: 10-Undecenal
Regulation (EC) No 1831/2003 (amended)
10-Undecenal is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 10-Undecenal 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)
Status: Active Update: 28-11-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/12737
10-Undecenal: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and Categories
Skin Irrit. 2 (97.2%)
Flammable liquids - Category 4
Safety data
- PPE
- Eyeshields, Gloves, multi-purpose combination respirator cartridge (US)
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- YQ2835000
- ridadr
- NA1993
- hs_code
- 29121900
- Toxicity
- rabbit,LD50,skin,> 5gm/kg (5000mg/kg),Food and Cosmetics Toxicology. Vol. 11, Pg. 479, 1973.
- risk_code
- 38-10
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 24/25-37/39-26
- hazard_class
- CBL
- Storage Class
- 10 - Combustible liquids
- Hazard statements
- H315-H317-H412
- Excepted Quantities
- Non-Hazardous
- REACH Registrations
- Active
- Hazard Classifications
- Aquatic Chronic 3Skin Irrit. 2Skin Sens. 1B
- Precautionary statements
- P261-P264-P272-P273-P280-P302+P352
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
Uses & manufacturing
U.S. Production2023: 8,500,000 - <10,000,000 lb
Consumer UsesFragrance
Industry UsesFragrance
Household ProductsInformation on 30 consumer products that contain Undecylenal in the following categories is provided:
Use Classification
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing Information
All Other Chemical Product and Preparation Manufacturing
10-Undecenal: ACTIVE
Applications
OccurrenceReported found in coriander leaf (Coriandrum sativum L.).
Uses10-Undecylenic Aldehyde is derived from the reduction of Undecylenic Acid (U788820) which is used for the manufacture of pharmaceuticals, cosmetics and perfumery, including antidandruff shampoos, antimicrobial powders and as a musk in perfumes and aromas.
Preparation methods
PreparationBy oxidation of the corresponding alcohol or reduction of the corresponding acid; by passing vapors of formic acid and undecylenic acid over TiO2 at 250°C under pressure; by passing vapors of undecylenic acid and methanol over a manganese dioxidebased catalyst; or by reduction of ethyl undecylenate with lithium hydride and sodium in tetrahydrofuran solution at very low temperature (–50°C).
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]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
武汉欣扬瑞和化学科技有限公司13720274133 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
Baoji Guokang Healthchem co.,ltd+8615604608665 15604608665 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Hebei Yanxi Chemical Co., Ltd.+86-17531190177 · [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]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Syntechem Co.,Ltd[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]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
吉良化学21-62165282 · [email protected]
湖北广奥生物科技有限公司027-02702759223056 18162699093 · [email protected]
武汉丰泰威远科技有限公司+86-27-8746-5837 +86-18627785180 · [email protected]
武汉丰泰威远科技有限公司027-87465837 19945049750 · [email protected]
山东洛恒化工产品有限公司17306359933
山东西亚化学有限公司13355009207 13355009207 · [email protected]
玛雅试剂+86 (573) 82222445 (0)18006601000 452520369 · [email protected]
四川库利南科技有限公司400-1166-196 18981987031 · [email protected]
艾科试剂4008-755-333 18080918076 · [email protected]
上海思域化工科技有限公司86-21-34053660 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
北京伊诺凯科技有限公司400-810-7969 010-59572699 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
吉水县益康天然香料油提炼厂0796-8128936 19070600085
深圳菲斯生物科技有限公司0755-83725350 13380397412 · [email protected]
安徽科迪达化工有限公司0554-2106669 · [email protected]
池州凯隆进出口贸易有限公司[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]
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]
泰安嘉岳生物化工有限公司15318151873 · [email protected]
sgtlifesciences pvt ltd+91-8790379245 · [email protected]
陕西缔都医药化工有限公司+86-29-81139210 +86-17392587031 · [email protected]
上海西陇生化科技有限公司021-52907766-8042
上海源叶生物科技有限公司13636370518 · [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]
武汉卡诺斯科技有限公司18064039730 · [email protected]
上海巍涛化工有限公司02150630626 17717886015 · [email protected]
泰安市嘉叶生物科技有限公司15318151873;13127280945 · [email protected]
Additional notes
DefinitionChEBI: 10-undecenal is an undecenal.
Related reactions
7 records
Compound notes
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