2-Octynoic acid

HCID 21872CAS 5663-96-7

기본 정보

표준 SMILES
CCCCCC#CC(=O)O
InChIKey
BQDKCWCMDBMLEH-UHFFFAOYSA-N
분자식
C8H12O2
평균 분자량
140.18 g/mol
단동위원소 질량
140.08372962

이름 및 식별자

우선 이름
2-Octynoic acid
IUPAC
oct-2-ynoic acid
영어명
2-OCTYNOIC ACID
분자식
C8H12O2
분자량
140.18

이름 및 동의어

2-OCTYNOIC ACID5663-96-72-Octyn-1-oic acidPentylpropiolic acidI7TMI3HR1YCHEBI:60295NSC-75855DTXSID50205205RefChem:88882DTXCID10127696227-121-3Oct-2-ynoic acid
이름 더 보기
2-OCTANOIC ACID2-Octynoicacid,98%m-pentylpropiolateRARECHEM AL BE 07422-OCTYNOIC ACID 96%META-PENTYLPROPIOLATE
m-Pentyl propiolatePropiolic acid, pentyl-Propiolic acid, pentyl esterMFCD000043642-OAEINECS 227-121-3NSC 75855BRN 1751225

데이터베이스 식별자

CAS
5663-96-7
PubChem CID
21872
DTXSID
DTXSID50205205
ChEBI
CHEBI:60295
UNII
I7TMI3HR1Y
EC Number
227-121-3
Nikkaji
J42.536B

물성

구조 계산 물성

XLogP
2.8
극성 표면적
37.3 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
2
회전 가능 결합 수
3
무거운 원자 수
10

물리화학적 성질

녹는점
2 · 2-5 °C(lit.)
끓는 점
148 · 148-149 °C19 mm Hg(lit.)
밀도
0.961 g/mL · 0.961 g/mL at 25 °C(lit.)
굴절률
20 · n20/D 1.46(lit.)
인화점
214 °F · 214 °F
저장 조건
Sealed in dry,Room Temperature

화학적 성질

clear colorless to light yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H302+H312+H332 (40.8%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation];H302 (94.4%): Harmful if swallowed [Warning Acute toxicity, oral];H312 (94.4%): Harmful in contact with skin [Warning Acute toxicity, dermal];H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation];H318 (40.8%): Causes serious eye damage [Danger Serious eye damage/eye irritation];H332 (94.4%): Harmful if inhaled [Warning Acute toxicity, inhalation]

P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 71 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (94.4%);Acute Tox. 4 (94.4%);Skin Corr. 1B (100%);Eye Dam. 1 (40.8%);Acute Tox. 4 (94.4%)

안전 데이터

wgk
3
rtecs
RI2725000
ridadr
UN 3265 8/PG 2
HS 번호
29161995
risk_code
20/21/22-34
hazard_code
C

화학 및 산업

공급사35 곳

陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
毕佳索(上海毕得医药科技股份有限公司)400-6005915 · [email protected]
郑州德元凯化工有限公司17837139533 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]

추가 설명

정의ChEBI: Octanoic acid (caprylic acid) which has been doubly dehydrogenated at positions 2 and 3 to give the corresponding alkynoic acid. It is widely used in perfumes, lipstick, and many common food flavourings.

관련 반응

3건

연결된 노트

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