2-methyl-2-hexenoic acid, 28897-58-7

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CODE105193 CODE105193
Product(s):
M1147 2-Methyl-2-hexenoic Acid >97.0%(GC)
SDS

Name:	(E)-2-methylhex-2-enoic acid
CAS Number:	28897-58-7	3D/inchi
ECHA EINECS - REACH Pre-Reg:	249-294-4
FDA UNII:	Search
Nikkaji Web:	J286.475D
MDL:	MFCD00015855
XlogP3-AA:	2.00 (est)
Molecular Weight:	128.17104000
Formula:	C7 H12 O2
NMR Predictor:	Predict (works with chrome, Edge or firefox)

Category:fragrance agents

US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:

Google Scholar:	Search
Google Books:	Search
Google Scholar: with word "volatile"	Search
Google Scholar: with word "flavor"	Search
Google Scholar: with word "odor"	Search
Perfumer and Flavorist:	Search
Google Patents:	Search
US Patents:	Search
EU Patents:	Search
Pubchem Patents:	Search
PubMed:	Search
NCBI:	Search

Physical Properties:

Appearance:	colorless clear liquid (est)
Assay:	97.00 to 100.00
Food Chemicals Codex Listed:	No
Specific Gravity:	0.95700 to 0.96700 @ 25.00 °C.
Pounds per Gallon - (est).:	7.963 to 8.046
Refractive Index:	1.45600 to 1.46600 @ 20.00 °C.
Boiling Point:	130.00 °C. @ 20.00 mm Hg
Boiling Point:	105.00 °C. @ 5.00 mm Hg
Vapor Pressure:	0.105000 mmHg @ 25.00 °C. (est)
Flash Point:	230.00 °F. TCC ( 110.00 °C. )
logP (o/w):	2.095 (est)
Soluble in:
	alcohol
	water
	water, 2139 mg/L @ 25 °C (est)

Organoleptic Properties:

Odor Type: cheesy

fruity cheesy

Odor Description:at 100.00 %. fruity cheese

Odor and/or flavor descriptions from others (if found).

Bedoukian Research

2-METHYL-2-HEXENOIC ACID

Odor Description:A pleasant fruity cheese aroma
Used in sour (cheesy) fruit type fragrances.

Cosmetic Information:

None found

Suppliers:

Santa Cruz Biotechnology

For experimental / research use only.

2-Methyl-2-hexenoic Acid

Sigma-Aldrich: Aldrich

For experimental / research use only.

2-Methyl-2-hexenoic Acid

sds

TCI AMERICA

For experimental / research use only.

2-Methyl-2-hexenoic Acid >97.0%(GC)

sds

Safety Information:

Preferred SDS: View

Hazards identification

Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
None found.
GHS Label elements, including precautionary statements

Pictogram

Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined

Safety in Use Information:

Category:
fragrance agents
RIFM Fragrance Material Safety Assessment: Search
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
Recommendation for 2-methyl-2-hexenoic acid usage levels up to:
	0.5000 % in the fragrance concentrate.

Recommendation for 2-methyl-2-hexenoic acid flavor usage levels up to:
	not for flavor use.

Safety References:

EPI System: View

AIDS Citations:Search

Cancer Citations:Search

Toxicology Citations:Search

EPA Substance Registry Services (TSCA):28897-58-7

EPA ACToR:Toxicology Data

EPA Substance Registry Services (SRS):Registry

Laboratory Chemical Safety Summary :5282650

National Institute of Allergy and Infectious Diseases:Data

WISER:UN 3265

WGK Germany:3

(E)-2-methylhex-2-enoic acid

Chemidplus:0028897587

References:

	(E)-2-methylhex-2-enoic acid
NIST Chemistry WebBook:	Search Inchi
Pubchem (cid):	5282650
Pubchem (sid):	135077569

Other Information:

(IUPAC):	Atomic Weights of the Elements 2011 (pdf)
Videos:	The Periodic Table of Videos
tgsc:	Atomic Weights use for this web site
(IUPAC):	Periodic Table of the Elements
HMDB (The Human Metabolome Database):	Search
Export Tariff Code:	2916.19.3000
ChemSpider:	View

Potential Blenders and core components note

For Odor

acidic

iso

butyric acid
FL/FR

cyclohexyl acetic acid
FL/FR

methyl butyric acid
FL/FR

buttery

acetyl propionyl
FL/FR

butyl butyryl lactate
FL/FR

2,3-

heptane dione
FL/FR

caramellic

maltyl isobutyrate
FL/FR

cheesy

butyric acid
FL/FR

methyl hexanoic acid
FL/FR

S-(

methyl thio) butyrate
FL/FR

methyl valeric acid
FL/FR

ethereal

iso

valeraldehyde propylene glycol acetal
FL/FR

fatty

hexanoic acid
FL/FR

octanoic acid
FL/FR

floral

citronellyl acetate
FL/FR

phenethyl acetate
FL/FR

fruity

iso

amyl propionate
FL/FR

cyclohexyl carboxylic acid
FL/FR

filbert hexenone
FL/FR

heptanone
FL/FR

methyl 4-methyl valerate
FL/FR

methyl butyl isovalerate
FL/FR

prenyl hexanoate
FL/FR

propyl isobutyrate
FL/FR

sorbyl butyrate
FL/FR

tropical indene
FR

tropical ionone
FL/FR

tropical thiazole
FL/FR

green

ethyl (E,Z)-2,4-decadienoate
FL/FR

heptanal dimethyl acetal
FL/FR

(E)-2-

hexenal
FL/FR

penten-3-ol
FL/FR

herbal

viridiflorol
FL/FR

nutty

nutty quinoxaline
FL/FR

sulfurous

buchu mercaptan
FL/FR

cassis pentanone
FL/FR

passiflora acetate
FL/FR

tropical

tropical 3-thiobutyrate
FL/FR

waxy

methyl heptanoic acid
FL/FR

nonanoic acid
FL/FR

nonanol
FL/FR

undecanoic acid
FL/FR

yeasty

octen-4-one
FL/FR

For Flavor

No flavor group found for these

iso

amyl 3-methyl thiopropionate
FL

iso

butyl amine
FL

ethyl 3-octenoate
FL

ethyl cyclohexyl carboxylate
FL

(E,E)-2,4-

heptadien-1-ol
FL

(Z)-3-

hexenoic acid
FL

methyl hexanoic acid
FL

methyl valeric acid
FL

prenyl hexanoate
FL/FR

viridiflorol
FL/FR

acidic

iso

butyric acid
FL/FR

alliaceous

tropical thiazole
FL/FR

buttery

2,3-

heptane dione
FL/FR

methyl valeric acid
FL/FR

(E)-2-

pentenoic acid
FL

cheesy

hexanoic acid
FL/FR

methyl ketones
FL

creamy

acetoin butyrate
FL

butyl butyryl lactate
FL/FR

methyl-4-pentenoic acid
FL

dairy

pentenoic acid
FL

fatty

dimethyl sulfoxide
FL

nonanoic acid
FL/FR

(E)-2-

octenoic acid
FL

fermented

methyl thio isovalerate
FL

floral

citronellyl acetate
FL/FR

tropical ionone
FL/FR

fruity

iso

amyl propionate
FL/FR

cyclohexyl carboxylic acid
FL/FR

filbert hexenone
FL/FR

heptanone
FL/FR

methyl 4-methyl valerate
FL/FR

methyl butyl isovalerate
FL/FR

methyl butyric acid
FL/FR

propyl isobutyrate
FL/FR

sorbyl butyrate
FL/FR

iso

valeraldehyde propylene glycol acetal
FL/FR

green

cassis pentanone
FL/FR

ethyl (E,Z)-2,4-decadienoate
FL/FR

heptanal dimethyl acetal
FL/FR

(E)-2-

hexenal
FL/FR

penten-3-ol
FL/FR

honey

phenethyl acetate
FL/FR

jammy

maltyl isobutyrate
FL/FR

meaty

methyl 3-(methyl thio) furan
FL

musty

S-(

methyl thio) butyrate
FL/FR

nutty

nutty quinoxaline
FL/FR

oily

methyl hexanoic acid
FL/FR

soapy

octanoic acid
FL/FR

sour

butyric acid
FL/FR

2,4-

dimethyl-2-pentenoic acid
FL

methyl valeric acid
FL

sulfurous

buchu mercaptan
FL/FR

methyl 2-(methyl thio) butyrate
FL

methyl 4-(methyl thio) butyrate
FL

methyl thiomethyl butyrate
FL

tropical 3-thiobutyrate
FL/FR

sweet

cyclohexyl acetic acid
FL/FR

toasted

acetyl propionyl
FL/FR

tropical

passiflora acetate
FL/FR

vegetable

octen-4-one
FL/FR

waxy

methyl heptanoic acid
FL/FR

nonanol
FL/FR

undecanoic acid
FL/FR

Potential Uses:

FL	cheese
FR	fruit

Occurrence (nature, food, other):note

not found in nature

Synonyms:

2-	hexenoic acid, 2-methyl-
2-	hexenoic acid, 2-methyl-, (2E)-
(E)-2-	methyl hex-2-enoic acid
2-	methyl hex-2-enoic acid
2-	methyl-2-hexenoicacid
2-	methyl-2E-hexenoic acid
(2E)-2-	methylhex-2-enoic acid
(E)-2-	methylhex-2-enoic acid
2-	methylhex-2-enoic acid

Articles:

PubMed:Adsorption behavior of salicylic, benzoic, and 2-methyl-2-hexenoic acid on alumina: an in situ modulation excitation PM-IRRAS study.

PubMed:Hydrogen-bonding interactions in cinchonidine-2-methyl-2-hexenoic acid complexes: a combined spectroscopic and theoretical study.

PubMed:Anaerobic degradation of n-hexane in a denitrifying bacterium: further degradation of the initial intermediate (1-methylpentyl)succinate via C-skeleton rearrangement.

Notes:

None found

2-methyl-2-hexenoic acid 2-hexenoic acid, 2-methyl-, (2E)-

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Articles:

2-methyl-2-hexenoic acid
2-hexenoic acid, 2-methyl-, (2E)-